1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one

C80H74F2N12O6 — CID 158702566

About 1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one

1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 158702566) has the molecular formula C80H74F2N12O6 and a molecular weight of 1337.55 g/mol. Its IUPAC name is 1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
• PubChem CID: 158702566
• Molecular Formula: C80H74F2N12O6
• Molecular Weight: 1337.55 g/mol
• Exact Mass: 1336.58
• IUPAC Name: 1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3cnccc32)CC1.C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(C)c4F)cc3)c3cnccc32)C1.C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(F)c4C)cc3)c3cnccc32)C1
• InChI: InChI=1S/2C27H25FN4O2.C26H24N4O2/c1-3-26(33)31-15-5-6-20(17-31)32-24-13-14-29-16-22(24)27(30-32)19-9-11-21(12-10-19)34-25-8-4-7-23(28)18(25)2;1-3-25(33)31-15-5-7-20(17-31)32-23-13-14-29-16-22(23)27(30-32)19-9-11-21(12-10-19)34-24-8-4-6-18(2)26(24)28;1-2-25(31)29-16-13-20(14-17-29)30-24-12-15-27-18-23(24)26(28-30)19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-4,7-14,16,20H,1,5-6,15,17H2,2H3;3-4,6,8-14,16,20H,1,5,7,15,17H2,2H3;2-12,15,18,20H,1,13-14,16-17H2/t2*20-;/m11./s1
• InChIKey: IHSMLRFQEMMVSH-BEUCPQIGSA-N
• XLogP: 16.62
• TPSA: 180.75 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1337.55
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one (CID 158702566) is 1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)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-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3cnccc32)CC1.C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(C)c4F)cc3)c3cnccc32)C1.C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(F)c4C)cc3)c3cnccc32)C1.

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

The InChIKey is IHSMLRFQEMMVSH-BEUCPQIGSA-N. The full InChI is InChI=1S/2C27H25FN4O2.C26H24N4O2/c1-3-26(33)31-15-5-6-20(17-31)32-24-13-14-29-16-22(24)27(30-32)19-9-11-21(12-10-19)34-25-8-4-7-23(28)18(25)2;1-3-25(33)31-15-5-7-20(17-31)32-23-13-14-29-16-22(23)27(30-32)19-9-11-21(12-10-19)34-24-8-4-6-18(2)26(24)28;1-2-25(31)29-16-13-20(14-17-29)30-24-12-15-27-18-23(24)26(28-30)19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-4,7-14,16,20H,1,5-6,15,17H2,2H3;3-4,6,8-14,16,20H,1,5,7,15,17H2,2H3;2-12,15,18,20H,1,13-14,16-17H2/t2*20-;/m11./s1.

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

1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 1337.55 g/mol, XLogP of 16.62, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[3-[4-(2-fluoro-3-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[3-[4-(3-fluoro-2-methylphenoxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-[3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 158702566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).