1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide

C120H126N14O13 — CID 157219029

IUPAC1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
SMILESCCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(C#N)cc2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(N(C)C)cc2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(OC)cc2)=CC3)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5c(ccn5C)c4)c[nH]c3n2)c(OC)c1
InChIInChI=1S/C31H35N3O3.C30H29N3O3.C30H32N2O4.C29H30N6O3/c1-5-27(35)21-10-11-22(28(18-21)36-4)19-29-32-26-17-16-25(20-12-14-23(15-13-20)34(2)3)30(26)31(33-29)37-24-8-6-7-9-24;1-3-26(34)21-12-13-22(27(16-21)35-2)17-28-32-25-15-14-24(20-10-8-19(18-31)9-11-20)29(25)30(33-28)36-23-6-4-5-7-23;1-4-26(33)20-9-10-21(27(17-20)35-3)18-28-31-25-16-15-24(19-11-13-22(34-2)14-12-19)29(25)30(32-28)36-23-7-5-6-8-23;1-30-27(36)19-8-10-22(24(15-19)37-3)32-29-33-26-25(28(34-29)38-20-6-4-5-7-20)21(16-31-26)17-9-11-23-18(14-17)12-13-35(23)2/h10-16,18,24H,5-9,17,19H2,1-4H3;8-14,16,23H,3-7,15,17H2,1-2H3;9-15,17,23H,4-8,16,18H2,1-3H3;8-16,20H,4-7H2,1-3H3,(H,30,36)(H2,31,32,33,34)
InChIKeyASTMKXOXQKAGOX-UHFFFAOYSA-N
MW1972.41 g/mol
LogP23.43
Rot. Bonds33

About 1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide

1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide (PubChem CID 157219029) has the molecular formula C120H126N14O13 and a molecular weight of 1972.41 g/mol. Its IUPAC name is 1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
PubChem CID157219029
Molecular FormulaC120H126N14O13
Molecular Weight1972.41 g/mol
Exact Mass1970.96
IUPAC Name1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
SMILESCCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(C#N)cc2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(N(C)C)cc2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(OC)cc2)=CC3)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5c(ccn5C)c4)c[nH]c3n2)c(OC)c1
InChIInChI=1S/C31H35N3O3.C30H29N3O3.C30H32N2O4.C29H30N6O3/c1-5-27(35)21-10-11-22(28(18-21)36-4)19-29-32-26-17-16-25(20-12-14-23(15-13-20)34(2)3)30(26)31(33-29)37-24-8-6-7-9-24;1-3-26(34)21-12-13-22(27(16-21)35-2)17-28-32-25-15-14-24(20-10-8-19(18-31)9-11-20)29(25)30(33-28)36-23-6-4-5-7-23;1-4-26(33)20-9-10-21(27(17-20)35-3)18-28-31-25-16-15-24(19-11-13-22(34-2)14-12-19)29(25)30(32-28)36-23-7-5-6-8-23;1-30-27(36)19-8-10-22(24(15-19)37-3)32-29-33-26-25(28(34-29)38-20-6-4-5-7-20)21(16-31-26)17-9-11-23-18(14-17)12-13-35(23)2/h10-16,18,24H,5-9,17,19H2,1-4H3;8-14,16,23H,3-7,15,17H2,1-2H3;9-15,17,23H,4-8,16,18H2,1-3H3;8-16,20H,4-7H2,1-3H3,(H,30,36)(H2,31,32,33,34)
InChIKeyASTMKXOXQKAGOX-UHFFFAOYSA-N
XLogP23.43
TPSA326.28 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds33
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001972.41
LogP ≤ 523.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide?
The IUPAC name of 1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide (CID 157219029) is 1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide?
The canonical SMILES for 1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide is CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(C#N)cc2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(N(C)C)cc2)=CC3)c(OC)c1.CCC(=O)c1ccc(Cc2nc3c(c(OC4CCCC4)n2)C(c2ccc(OC)cc2)=CC3)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5c(ccn5C)c4)c[nH]c3n2)c(OC)c1.
What is the InChIKey of 1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide?
The InChIKey is ASTMKXOXQKAGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O3.C30H29N3O3.C30H32N2O4.C29H30N6O3/c1-5-27(35)21-10-11-22(28(18-21)36-4)19-29-32-26-17-16-25(20-12-14-23(15-13-20)34(2)3)30(26)31(33-29)37-24-8-6-7-9-24;1-3-26(34)21-12-13-22(27(16-21)35-2)17-28-32-25-15-14-24(20-10-8-19(18-31)9-11-20)29(25)30(33-28)36-23-6-4-5-7-23;1-4-26(33)20-9-10-21(27(17-20)35-3)18-28-31-25-16-15-24(19-11-13-22(34-2)14-12-19)29(25)30(32-28)36-23-7-5-6-8-23;1-30-27(36)19-8-10-22(24(15-19)37-3)32-29-33-26-25(28(34-29)38-20-6-4-5-7-20)21(16-31-26)17-9-11-23-18(14-17)12-13-35(23)2/h10-16,18,24H,5-9,17,19H2,1-4H3;8-14,16,23H,3-7,15,17H2,1-2H3;9-15,17,23H,4-8,16,18H2,1-3H3;8-16,20H,4-7H2,1-3H3,(H,30,36)(H2,31,32,33,34).
What are the key properties of 1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide?
1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide has a molecular weight of 1972.41 g/mol, XLogP of 23.43, 33 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-cyclopentyloxy-5-[4-(dimethylamino)phenyl]-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;1-[4-[[4-cyclopentyloxy-5-(4-methoxyphenyl)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]propan-1-one;4-[4-cyclopentyloxy-2-[(2-methoxy-4-propanoylphenyl)methyl]-7H-cyclopenta[d]pyrimidin-5-yl]benzonitrile;4-[[4-cyclopentyloxy-5-(1-methylindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 157219029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).