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

C75H89FN18O4 — CID 159295006

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

1-[3-[3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[2-methoxy-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-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 159295006) has the molecular formula C75H89FN18O4 and a molecular weight of 1325.66 g/mol. Its IUPAC name is 1-[3-[3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[2-methoxy-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-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[3-[3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[2-methoxy-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-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
• PubChem CID: 159295006
• Molecular Formula: C75H89FN18O4
• Molecular Weight: 1325.66 g/mol
• Exact Mass: 1324.73
• IUPAC Name: 1-[3-[3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[2-methoxy-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-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCC(n2nc(-c3ccc(N4CCN(C)CC4)cc3)c3cnccc32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(N4CCN(C)CC4)c(F)c3)c3cnccc32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(N4CCN(C)CC4)cc3OC)c3cnccc32)C1
• InChI: InChI=1S/C26H32N6O2.C25H29FN6O.C24H28N6O/c1-4-25(33)31-11-5-6-20(18-31)32-23-9-10-27-17-22(23)26(28-32)21-8-7-19(16-24(21)34-3)30-14-12-29(2)13-15-30;1-3-24(33)31-10-4-5-19(17-31)32-22-8-9-27-16-20(22)25(28-32)18-6-7-23(21(26)15-18)30-13-11-29(2)12-14-30;1-3-23(31)29-11-9-20(17-29)30-22-8-10-25-16-21(22)24(26-30)18-4-6-19(7-5-18)28-14-12-27(2)13-15-28/h4,7-10,16-17,20H,1,5-6,11-15,18H2,2-3H3;3,6-9,15-16,19H,1,4-5,10-14,17H2,2H3;3-8,10,16,20H,1,9,11-15,17H2,2H3
• InChIKey: LAPHPYOIEAANGO-UHFFFAOYSA-N
• XLogP: 9.36
• TPSA: 181.73 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1325.66
LogP ≤ 5	9.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[3-[3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[2-methoxy-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-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one (CID 159295006) is 1-[3-[3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[2-methoxy-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-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one.

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

The canonical SMILES for 1-[3-[3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[2-methoxy-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-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(n2nc(-c3ccc(N4CCN(C)CC4)cc3)c3cnccc32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(N4CCN(C)CC4)c(F)c3)c3cnccc32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(N4CCN(C)CC4)cc3OC)c3cnccc32)C1.

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

The InChIKey is LAPHPYOIEAANGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2.C25H29FN6O.C24H28N6O/c1-4-25(33)31-11-5-6-20(18-31)32-23-9-10-27-17-22(23)26(28-32)21-8-7-19(16-24(21)34-3)30-14-12-29(2)13-15-30;1-3-24(33)31-10-4-5-19(17-31)32-22-8-9-27-16-20(22)25(28-32)18-6-7-23(21(26)15-18)30-13-11-29(2)12-14-30;1-3-23(31)29-11-9-20(17-29)30-22-8-10-25-16-21(22)24(26-30)18-4-6-19(7-5-18)28-14-12-27(2)13-15-28/h4,7-10,16-17,20H,1,5-6,11-15,18H2,2-3H3;3,6-9,15-16,19H,1,4-5,10-14,17H2,2H3;3-8,10,16,20H,1,9,11-15,17H2,2H3.

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

1-[3-[3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[2-methoxy-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-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 1325.66 g/mol, XLogP of 9.36, 13 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[3-[3-[2-methoxy-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-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 159295006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).