6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile

C23H26N6O3 — CID 143491425

IUPAC6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCOc1cccc(C(=O)Cn2cnc3c(C#N)c(NCCN)n(C[C@@H]4CC4C)c3c2=O)c1
InChIInChI=1S/C23H26N6O3/c1-14-8-16(14)11-29-21-20(18(10-25)22(29)26-7-6-24)27-13-28(23(21)31)12-19(30)15-4-3-5-17(9-15)32-2/h3-5,9,13-14,16,26H,6-8,11-12,24H2,1-2H3/t14?,16-/m0/s1
InChIKeyGUOVWFYIKZWURX-WMCAAGNKSA-N
MW434.50 g/mol
LogP1.99
Rot. Bonds9

About 6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile

6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 143491425) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
PubChem CID143491425
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCOc1cccc(C(=O)Cn2cnc3c(C#N)c(NCCN)n(C[C@@H]4CC4C)c3c2=O)c1
InChIInChI=1S/C23H26N6O3/c1-14-8-16(14)11-29-21-20(18(10-25)22(29)26-7-6-24)27-13-28(23(21)31)12-19(30)15-4-3-5-17(9-15)32-2/h3-5,9,13-14,16,26H,6-8,11-12,24H2,1-2H3/t14?,16-/m0/s1
InChIKeyGUOVWFYIKZWURX-WMCAAGNKSA-N
XLogP1.99
TPSA127.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile with MolForge

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Related Compounds

3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(2R)-2-methylcyclopropyl]methyl]-4-oxo-6-piperazin-1-ylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 69018439
6-(3-aminopiperidin-1-yl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(2R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 68966235
6-(3-aminopiperidin-1-yl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(3-methylbutyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 68966253
6-[(3R)-3-aminopiperidin-1-yl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxo-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 23634130
5-but-2-ynyl-3-[2-(3-methoxyphenyl)-2-oxoethyl]-6-[(3R)-3-(methylideneamino)piperidin-1-yl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 143491557
methyl 6-(3-aminopiperidin-1-yl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carboxylate
CID 68963423
7-amino-6-[(3S)-3-aminopiperidin-1-yl]-5-(3,3-difluoroprop-2-enyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]pyrrolo[3,2-d]pyrimidin-4-one
CID 70993836
6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;bis(6-[(3S)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile);6-[(3R)-3-aminopiperidin-1-yl]-5-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;6-[(3S)-3-aminopiperidin-1-yl]-5-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 157424336
3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile;piperidine
CID 143491503
5-benzyl-3-[2-(3-methoxyphenyl)-2-oxoethyl]-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CID 68963509
ethane;methanamine;5-(3-methylbut-2-enyl)-3-[2-(3-methylphenyl)-2-oxoethyl]-4-oxo-6-piperidin-1-ylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 143491487
methyl 5-but-2-ynyl-6-chloro-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carboxylate;methyl 5-but-2-ynyl-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxo-6-piperazin-1-ylpyrrolo[3,2-d]pyrimidine-7-carboxylate;piperazine
CID 161149062

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The IUPAC name of 6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile (CID 143491425) is 6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile is COc1cccc(C(=O)Cn2cnc3c(C#N)c(NCCN)n(C[C@@H]4CC4C)c3c2=O)c1.
What is the InChIKey of 6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The InChIKey is GUOVWFYIKZWURX-WMCAAGNKSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-14-8-16(14)11-29-21-20(18(10-25)22(29)26-7-6-24)27-13-28(23(21)31)12-19(30)15-4-3-5-17(9-15)32-2/h3-5,9,13-14,16,26H,6-8,11-12,24H2,1-2H3/t14?,16-/m0/s1.
What are the key properties of 6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile?
6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 434.50 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-[[(1R)-2-methylcyclopropyl]methyl]-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 143491425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).