1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

C27H32F3N7O2 — CID 158149767

About 1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 158149767) has the molecular formula C27H32F3N7O2 and a molecular weight of 543.59 g/mol. Its IUPAC name is 1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
• PubChem CID: 158149767
• Molecular Formula: C27H32F3N7O2
• Molecular Weight: 543.59 g/mol
• Exact Mass: 543.26
• IUPAC Name: 1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
• SMILES: CCC(=O)N1CCc2c(c(Nc3cc(C(F)F)c(-c4cnn(C)c4)cc3F)nn2C2CCN(C(C)=O)CC2)C1
• InChI: InChI=1S/C27H32F3N7O2/c1-4-25(39)36-10-7-24-21(15-36)27(33-37(24)18-5-8-35(9-6-18)16(2)38)32-23-12-20(26(29)30)19(11-22(23)28)17-13-31-34(3)14-17/h11-14,18,26H,4-10,15H2,1-3H3,(H,32,33)
• InChIKey: FUYNTLPANBMKFN-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 88.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.59
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The IUPAC name of 1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 158149767) is 1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

What is the SMILES notation for 1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The canonical SMILES for 1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is CCC(=O)N1CCc2c(c(Nc3cc(C(F)F)c(-c4cnn(C)c4)cc3F)nn2C2CCN(C(C)=O)CC2)C1.

What is the InChIKey of 1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The InChIKey is FUYNTLPANBMKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N7O2/c1-4-25(39)36-10-7-24-21(15-36)27(33-37(24)18-5-8-35(9-6-18)16(2)38)32-23-12-20(26(29)30)19(11-22(23)28)17-13-31-34(3)14-17/h11-14,18,26H,4-10,15H2,1-3H3,(H,32,33).

What are the key properties of 1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 543.59 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 158149767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).