N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide

C27H31N5O4 — CID 10289005

IUPACN-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(-n2nc(OC)c3c2C(=O)N(c2ccc(N(C)C(=O)CN4CCCC4)cc2)CC3)cc1
InChIInChI=1S/C27H31N5O4/c1-29(24(33)18-30-15-4-5-16-30)19-6-8-20(9-7-19)31-17-14-23-25(27(31)34)32(28-26(23)36-3)21-10-12-22(35-2)13-11-21/h6-13H,4-5,14-18H2,1-3H3
InChIKeyFGWKIKFVNRHSCY-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.15
Rot. Bonds7

About N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide

N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide (PubChem CID 10289005) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide
PubChem CID10289005
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC NameN-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(-n2nc(OC)c3c2C(=O)N(c2ccc(N(C)C(=O)CN4CCCC4)cc2)CC3)cc1
InChIInChI=1S/C27H31N5O4/c1-29(24(33)18-30-15-4-5-16-30)19-6-8-20(9-7-19)31-17-14-23-25(27(31)34)32(28-26(23)36-3)21-10-12-22(35-2)13-11-21/h6-13H,4-5,14-18H2,1-3H3
InChIKeyFGWKIKFVNRHSCY-UHFFFAOYSA-N
XLogP3.15
TPSA80.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide (CID 10289005) is N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide is COc1ccc(-n2nc(OC)c3c2C(=O)N(c2ccc(N(C)C(=O)CN4CCCC4)cc2)CC3)cc1.
What is the InChIKey of N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is FGWKIKFVNRHSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-29(24(33)18-30-15-4-5-16-30)19-6-8-20(9-7-19)31-17-14-23-25(27(31)34)32(28-26(23)36-3)21-10-12-22(35-2)13-11-21/h6-13H,4-5,14-18H2,1-3H3.
What are the key properties of N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide?
N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 489.58 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-methoxy-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 10289005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).