6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile

C125H142N32O14S — CID 157076440

IUPAC6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCC(C)=CCn1cnc2c(C#N)c(N3CCC[C@@H](N)C3)n(CC=C(C)C)c2c1=O.COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@@H](N)C4)n(CCC4CC4)c3c2=O)c1.COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@@H](N)C4)n(C[C@@H]4C[C@H]4C)c3c2=O)c1.COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@@H](N)C4)n(Cc4ccno4)c3c2=O)c1.COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@@H](N)C4)n(Cc4csc(C)n4)c3c2=O)c1
InChIInChI=1S/C26H27N7O3S.2C26H30N6O3.C25H25N7O4.C22H30N6O/c1-16-30-19(14-37-16)12-33-24-23(21(10-27)25(33)31-8-4-6-18(28)11-31)29-15-32(26(24)35)13-22(34)17-5-3-7-20(9-17)36-2;1-16-9-18(16)12-32-24-23(21(11-27)25(32)30-8-4-6-19(28)13-30)29-15-31(26(24)34)14-22(33)17-5-3-7-20(10-17)35-2;1-35-20-6-2-4-18(12-20)22(33)15-31-16-29-23-21(13-27)25(30-10-3-5-19(28)14-30)32(24(23)26(31)34)11-9-17-7-8-17;1-35-18-6-2-4-16(10-18)21(33)14-31-15-28-22-20(11-26)24(30-9-3-5-17(27)12-30)32(23(22)25(31)34)13-19-7-8-29-36-19;1-15(2)7-10-27-14-25-19-18(12-23)21(26-9-5-6-17(24)13-26)28(11-8-16(3)4)20(19)22(27)29/h3,5,7,9,14-15,18H,4,6,8,11-13,28H2,1-2H3;3,5,7,10,15-16,18-19H,4,6,8-9,12-14,28H2,1-2H3;2,4,6,12,16-17,19H,3,5,7-11,14-15,28H2,1H3;2,4,6-8,10,15,17H,3,5,9,12-14,27H2,1H3;7-8,14,17H,5-6,9-11,13,24H2,1-4H3/t18-;16-,18+,19-;19-;2*17-/m11111/s1
InChIKeyADAIFWOZZUWZOE-BLOXJVECSA-N
MW2348.79 g/mol
LogP12.79
Rot. Bonds34

About 6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile

6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 157076440) has the molecular formula C125H142N32O14S and a molecular weight of 2348.79 g/mol. Its IUPAC name is 6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
PubChem CID157076440
Molecular FormulaC125H142N32O14S
Molecular Weight2348.79 g/mol
Exact Mass2347.11
IUPAC Name6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCC(C)=CCn1cnc2c(C#N)c(N3CCC[C@@H](N)C3)n(CC=C(C)C)c2c1=O.COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@@H](N)C4)n(CCC4CC4)c3c2=O)c1.COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@@H](N)C4)n(C[C@@H]4C[C@H]4C)c3c2=O)c1.COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@@H](N)C4)n(Cc4ccno4)c3c2=O)c1.COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@@H](N)C4)n(Cc4csc(C)n4)c3c2=O)c1
InChIInChI=1S/C26H27N7O3S.2C26H30N6O3.C25H25N7O4.C22H30N6O/c1-16-30-19(14-37-16)12-33-24-23(21(10-27)25(33)31-8-4-6-18(28)11-31)29-15-32(26(24)35)13-22(34)17-5-3-7-20(9-17)36-2;1-16-9-18(16)12-32-24-23(21(11-27)25(32)30-8-4-6-19(28)13-30)29-15-31(26(24)34)14-22(33)17-5-3-7-20(10-17)35-2;1-35-20-6-2-4-18(12-20)22(33)15-31-16-29-23-21(13-27)25(30-10-3-5-19(28)14-30)32(24(23)26(31)34)11-9-17-7-8-17;1-35-18-6-2-4-16(10-18)21(33)14-31-15-28-22-20(11-26)24(30-9-3-5-17(27)12-30)32(23(22)25(31)34)13-19-7-8-29-36-19;1-15(2)7-10-27-14-25-19-18(12-23)21(26-9-5-6-17(24)13-26)28(11-8-16(3)4)20(19)22(27)29/h3,5,7,9,14-15,18H,4,6,8,11-13,28H2,1-2H3;3,5,7,10,15-16,18-19H,4,6,8-9,12-14,28H2,1-2H3;2,4,6,12,16-17,19H,3,5,7-11,14-15,28H2,1H3;2,4,6-8,10,15,17H,3,5,9,12-14,27H2,1H3;7-8,14,17H,5-6,9-11,13,24H2,1-4H3/t18-;16-,18+,19-;19-;2*17-/m11111/s1
InChIKeyADAIFWOZZUWZOE-BLOXJVECSA-N
XLogP12.79
TPSA608.47 Ų
H-Bond Donors5
H-Bond Acceptors47
Rotatable Bonds34
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002348.79
LogP ≤ 512.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile (CID 157076440) is 6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile is CC(C)=CCn1cnc2c(C#N)c(N3CCC[C@@H](N)C3)n(CC=C(C)C)c2c1=O.COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@@H](N)C4)n(CCC4CC4)c3c2=O)c1.COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@@H](N)C4)n(C[C@@H]4C[C@H]4C)c3c2=O)c1.COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@@H](N)C4)n(Cc4ccno4)c3c2=O)c1.COc1cccc(C(=O)Cn2cnc3c(C#N)c(N4CCC[C@@H](N)C4)n(Cc4csc(C)n4)c3c2=O)c1.
What is the InChIKey of 6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The InChIKey is ADAIFWOZZUWZOE-BLOXJVECSA-N. The full InChI is InChI=1S/C26H27N7O3S.2C26H30N6O3.C25H25N7O4.C22H30N6O/c1-16-30-19(14-37-16)12-33-24-23(21(10-27)25(33)31-8-4-6-18(28)11-31)29-15-32(26(24)35)13-22(34)17-5-3-7-20(9-17)36-2;1-16-9-18(16)12-32-24-23(21(11-27)25(32)30-8-4-6-19(28)13-30)29-15-31(26(24)34)14-22(33)17-5-3-7-20(10-17)35-2;1-35-20-6-2-4-18(12-20)22(33)15-31-16-29-23-21(13-27)25(30-10-3-5-19(28)14-30)32(24(23)26(31)34)11-9-17-7-8-17;1-35-18-6-2-4-16(10-18)21(33)14-31-15-28-22-20(11-26)24(30-9-3-5-17(27)12-30)32(23(22)25(31)34)13-19-7-8-29-36-19;1-15(2)7-10-27-14-25-19-18(12-23)21(26-9-5-6-17(24)13-26)28(11-8-16(3)4)20(19)22(27)29/h3,5,7,9,14-15,18H,4,6,8,11-13,28H2,1-2H3;3,5,7,10,15-16,18-19H,4,6,8-9,12-14,28H2,1-2H3;2,4,6,12,16-17,19H,3,5,7-11,14-15,28H2,1H3;2,4,6-8,10,15,17H,3,5,9,12-14,27H2,1H3;7-8,14,17H,5-6,9-11,13,24H2,1-4H3/t18-;16-,18+,19-;19-;2*17-/m11111/s1.
What are the key properties of 6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile?
6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 2348.79 g/mol, XLogP of 12.79, 34 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-aminopiperidin-1-yl]-3,5-bis(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-5-(2-cyclopropylethyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R,2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(1,2-oxazol-5-ylmethyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 157076440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).