1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C29H33N5O4 — CID 44581201

IUPAC1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CCN5CCOCC5)CC4)cc2)CC3)cc1
InChIInChI=1S/C29H33N5O4/c1-37-23-8-6-22(7-9-23)34-26-24(25(31-34)27(30)35)10-14-33(28(26)36)21-4-2-20(3-5-21)29(11-12-29)13-15-32-16-18-38-19-17-32/h2-9H,10-19H2,1H3,(H2,30,35)
InChIKeyWJJQIXYSPBQXCQ-UHFFFAOYSA-N
MW515.61 g/mol
LogP2.94
Rot. Bonds8

About 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 44581201) has the molecular formula C29H33N5O4 and a molecular weight of 515.61 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID44581201
Molecular FormulaC29H33N5O4
Molecular Weight515.61 g/mol
Exact Mass515.25
IUPAC Name1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CCN5CCOCC5)CC4)cc2)CC3)cc1
InChIInChI=1S/C29H33N5O4/c1-37-23-8-6-22(7-9-23)34-26-24(25(31-34)27(30)35)10-14-33(28(26)36)21-4-2-20(3-5-21)29(11-12-29)13-15-32-16-18-38-19-17-32/h2-9H,10-19H2,1H3,(H2,30,35)
InChIKeyWJJQIXYSPBQXCQ-UHFFFAOYSA-N
XLogP2.94
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Apixaban
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 44581201) is 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CCN5CCOCC5)CC4)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is WJJQIXYSPBQXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O4/c1-37-23-8-6-22(7-9-23)34-26-24(25(31-34)27(30)35)10-14-33(28(26)36)21-4-2-20(3-5-21)29(11-12-29)13-15-32-16-18-38-19-17-32/h2-9H,10-19H2,1H3,(H2,30,35).
What are the key properties of 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 44581201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).