6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C27H31N5O3 — CID 59020231

About 6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 59020231) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 59020231
• Molecular Formula: C27H31N5O3
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.24
• IUPAC Name: 6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CNC4CC4)cc2)CC3)cc1
• InChI: InChI=1S/C27H31N5O3/c1-27(2,16-29-18-6-7-18)17-4-8-19(9-5-17)31-15-14-22-23(25(28)33)30-32(24(22)26(31)34)20-10-12-21(35-3)13-11-20/h4-5,8-13,18,29H,6-7,14-16H2,1-3H3,(H2,28,33)
• InChIKey: CGJYWDCBDNHKKU-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 102.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 59020231) is 6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CNC4CC4)cc2)CC3)cc1.

What is the InChIKey of 6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is CGJYWDCBDNHKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-27(2,16-29-18-6-7-18)17-4-8-19(9-5-17)31-15-14-22-23(25(28)33)30-32(24(22)26(31)34)20-10-12-21(35-3)13-11-20/h4-5,8-13,18,29H,6-7,14-16H2,1-3H3,(H2,28,33).

What are the key properties of 6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[1-(cyclopropylamino)-2-methylpropan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 59020231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).