3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C32H35N5O3 — CID 23634878

About 3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 23634878) has the molecular formula C32H35N5O3 and a molecular weight of 537.66 g/mol. Its IUPAC name is 3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

• Compound Name: 3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• PubChem CID: 23634878
• Molecular Formula: C32H35N5O3
• Molecular Weight: 537.66 g/mol
• Exact Mass: 537.27
• IUPAC Name: 3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• SMILES: COc1ccc(-n2nc(N(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1
• InChI: InChI=1S/C32H35N5O3/c1-34(2)31-29-17-19-36(32(39)30(29)37(33-31)25-12-14-27(40-3)15-13-25)24-10-8-22(9-11-24)28-7-5-4-6-23(28)20-35-18-16-26(38)21-35/h4-15,26,38H,16-21H2,1-3H3/t26-/m1/s1
• InChIKey: JJEPTCSFQFAEHF-AREMUKBSSA-N
• XLogP: 4.38
• TPSA: 74.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.66
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The IUPAC name of 3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 23634878) is 3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

What is the SMILES notation for 3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The canonical SMILES for 3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(N(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1.

What is the InChIKey of 3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The InChIKey is JJEPTCSFQFAEHF-AREMUKBSSA-N. The full InChI is InChI=1S/C32H35N5O3/c1-34(2)31-29-17-19-36(32(39)30(29)37(33-31)25-12-14-27(40-3)15-13-25)24-10-8-22(9-11-24)28-7-5-4-6-23(28)20-35-18-16-26(38)21-35/h4-15,26,38H,16-21H2,1-3H3/t26-/m1/s1.

What are the key properties of 3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 537.66 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylamino)-6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 23634878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).