1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide

C34H39N7O3 — CID 140932701

IUPAC1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide
SMILESCOc1ccc(CNc2nccc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4CCC5(CC5)C4)nc3C)c2)c(OC)c1
InChIInChI=1S/C34H39N7O3/c1-22-24(5-9-31(38-22)40-15-13-34(21-40)11-12-34)19-41-20-25(18-37-41)33(42)39-29-8-7-28-27(29)10-14-35-32(28)36-17-23-4-6-26(43-2)16-30(23)44-3/h4-6,9-10,14,16,18,20,29H,7-8,11-13,15,17,19,21H2,1-3H3,(H,35,36)(H,39,42)/t29-/m1/s1
InChIKeyMSUPGZZRGQSHGI-GDLZYMKVSA-N
MW593.73 g/mol
LogP5.07
Rot. Bonds10

About 1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide

1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide (PubChem CID 140932701) has the molecular formula C34H39N7O3 and a molecular weight of 593.73 g/mol. Its IUPAC name is 1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide
PubChem CID140932701
Molecular FormulaC34H39N7O3
Molecular Weight593.73 g/mol
Exact Mass593.31
IUPAC Name1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide
SMILESCOc1ccc(CNc2nccc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4CCC5(CC5)C4)nc3C)c2)c(OC)c1
InChIInChI=1S/C34H39N7O3/c1-22-24(5-9-31(38-22)40-15-13-34(21-40)11-12-34)19-41-20-25(18-37-41)33(42)39-29-8-7-28-27(29)10-14-35-32(28)36-17-23-4-6-26(43-2)16-30(23)44-3/h4-6,9-10,14,16,18,20,29H,7-8,11-13,15,17,19,21H2,1-3H3,(H,35,36)(H,39,42)/t29-/m1/s1
InChIKeyMSUPGZZRGQSHGI-GDLZYMKVSA-N
XLogP5.07
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide (CID 140932701) is 1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide is COc1ccc(CNc2nccc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4CCC5(CC5)C4)nc3C)c2)c(OC)c1.
What is the InChIKey of 1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide?
The InChIKey is MSUPGZZRGQSHGI-GDLZYMKVSA-N. The full InChI is InChI=1S/C34H39N7O3/c1-22-24(5-9-31(38-22)40-15-13-34(21-40)11-12-34)19-41-20-25(18-37-41)33(42)39-29-8-7-28-27(29)10-14-35-32(28)36-17-23-4-6-26(43-2)16-30(23)44-3/h4-6,9-10,14,16,18,20,29H,7-8,11-13,15,17,19,21H2,1-3H3,(H,35,36)(H,39,42)/t29-/m1/s1.
What are the key properties of 1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide?
1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide has a molecular weight of 593.73 g/mol, XLogP of 5.07, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(5-azaspiro[2.4]heptan-5-yl)-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 140932701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).