2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide

C26H26N6O2 — CID 166817247

IUPAC2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)c2nc(-c3cc4ccccc4cn3)nc3c2CCC3)cn1
InChIInChI=1S/C26H26N6O2/c1-16(26(33)29-19-11-12-23(34-3)28-15-19)32(2)25-20-9-6-10-21(20)30-24(31-25)22-13-17-7-4-5-8-18(17)14-27-22/h4-5,7-8,11-16H,6,9-10H2,1-3H3,(H,29,33)
InChIKeyOSZZUKLGPUDKLO-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.05
Rot. Bonds6

About 2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide

2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide (PubChem CID 166817247) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide
PubChem CID166817247
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)c2nc(-c3cc4ccccc4cn3)nc3c2CCC3)cn1
InChIInChI=1S/C26H26N6O2/c1-16(26(33)29-19-11-12-23(34-3)28-15-19)32(2)25-20-9-6-10-21(20)30-24(31-25)22-13-17-7-4-5-8-18(17)14-27-22/h4-5,7-8,11-16H,6,9-10H2,1-3H3,(H,29,33)
InChIKeyOSZZUKLGPUDKLO-UHFFFAOYSA-N
XLogP4.05
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide with MolForge

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Related Compounds

(2R)-2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-pyridazin-4-ylpropanamide
CID 157029756
2-[[2-(4-fluoro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-(6-methoxy-3-pyridinyl)acetamide
CID 157030372
(2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol
CID 167209382
N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157030194
methyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate
CID 157030331
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
ethyl 2-[methyl-[2-(2,6-naphthyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate
CID 157029613
N-(6-methoxy-3-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 46489256
(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
N-(6-methoxy-3-pyridinyl)-1-methylindole-2-carboxamide
CID 56763350
3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 9210823
N-(6-fluoro-3-pyridinyl)-2-[methyl-[2-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157029408

Frequently Asked Questions

What is the IUPAC name of 2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide?
The IUPAC name of 2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide (CID 166817247) is 2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for 2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide is COc1ccc(NC(=O)C(C)N(C)c2nc(-c3cc4ccccc4cn3)nc3c2CCC3)cn1.
What is the InChIKey of 2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide?
The InChIKey is OSZZUKLGPUDKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-16(26(33)29-19-11-12-23(34-3)28-15-19)32(2)25-20-9-6-10-21(20)30-24(31-25)22-13-17-7-4-5-8-18(17)14-27-22/h4-5,7-8,11-16H,6,9-10H2,1-3H3,(H,29,33).
What are the key properties of 2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide?
2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide has a molecular weight of 454.53 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-isoquinolin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-methylamino]-N-(6-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 166817247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).