1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one

C81H92N16O3 — CID 159467579

About 1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one

1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 159467579) has the molecular formula C81H92N16O3 and a molecular weight of 1337.74 g/mol. Its IUPAC name is 1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
• PubChem CID: 159467579
• Molecular Formula: C81H92N16O3
• Molecular Weight: 1337.74 g/mol
• Exact Mass: 1336.75
• IUPAC Name: 1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCCC(n2nc(-c3ccc(N4CCC(N5CCCCC5)CC4)cc3)c3cnccc32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(N4CCN(C)CC4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2nc(-c3ccc(-c4cccc(C)c4)cc3)c3cnccc32)C1
• InChI: InChI=1S/C30H38N6O.C26H24N4O.C25H30N6O/c1-2-29(37)35-18-6-7-26(22-35)36-28-12-15-31-21-27(28)30(32-36)23-8-10-24(11-9-23)34-19-13-25(14-20-34)33-16-4-3-5-17-33;1-3-25(31)29-14-12-22(17-29)30-24-11-13-27-16-23(24)26(28-30)20-9-7-19(8-10-20)21-6-4-5-18(2)15-21;1-3-24(32)30-12-4-5-21(18-30)31-23-10-11-26-17-22(23)25(27-31)19-6-8-20(9-7-19)29-15-13-28(2)14-16-29/h2,8-12,15,21,25-26H,1,3-7,13-14,16-20,22H2;3-11,13,15-16,22H,1,12,14,17H2,2H3;3,6-11,17,21H,1,4-5,12-16,18H2,2H3/t;22-;/m.1./s1
• InChIKey: LVJQCCVRHDTVEW-WOKZNWHXSA-N
• XLogP: 13.14
• TPSA: 166.02 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1337.74
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one (CID 159467579) is 1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCC(n2nc(-c3ccc(N4CCC(N5CCCCC5)CC4)cc3)c3cnccc32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(N4CCN(C)CC4)cc3)c3cnccc32)C1.C=CC(=O)N1CC[C@@H](n2nc(-c3ccc(-c4cccc(C)c4)cc3)c3cnccc32)C1.

What is the InChIKey of 1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one?

The InChIKey is LVJQCCVRHDTVEW-WOKZNWHXSA-N. The full InChI is InChI=1S/C30H38N6O.C26H24N4O.C25H30N6O/c1-2-29(37)35-18-6-7-26(22-35)36-28-12-15-31-21-27(28)30(32-36)23-8-10-24(11-9-23)34-19-13-25(14-20-34)33-16-4-3-5-17-33;1-3-25(31)29-14-12-22(17-29)30-24-11-13-27-16-23(24)26(28-30)20-9-7-19(8-10-20)21-6-4-5-18(2)15-21;1-3-24(32)30-12-4-5-21(18-30)31-23-10-11-26-17-22(23)25(27-31)19-6-8-20(9-7-19)29-15-13-28(2)14-16-29/h2,8-12,15,21,25-26H,1,3-7,13-14,16-20,22H2;3-11,13,15-16,22H,1,12,14,17H2,2H3;3,6-11,17,21H,1,4-5,12-16,18H2,2H3/t;22-;/m.1./s1.

What are the key properties of 1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one?

1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 1337.74 g/mol, XLogP of 13.14, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[3-[4-(3-methylphenyl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 159467579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).