N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide

C27H35F2N9O2 — CID 146437510

IUPACN-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(C(C)(C)CN)c5)n4)c(C(F)F)n3)C2)CC1
InChIInChI=1S/C27H35F2N9O2/c1-17(39)35-9-7-19(8-10-35)36-13-20(14-36)37-15-23(24(34-37)25(28)29)33-26(40)22-6-4-5-21(32-22)18-11-31-38(12-18)27(2,3)16-30/h4-6,11-12,15,19-20,25H,7-10,13-14,16,30H2,1-3H3,(H,33,40)
InChIKeyGNVIBYGMCJFYRW-UHFFFAOYSA-N
MW555.63 g/mol
LogP2.89
Rot. Bonds8

About N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide

N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 146437510) has the molecular formula C27H35F2N9O2 and a molecular weight of 555.63 g/mol. Its IUPAC name is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID146437510
Molecular FormulaC27H35F2N9O2
Molecular Weight555.63 g/mol
Exact Mass555.29
IUPAC NameN-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(C(C)(C)CN)c5)n4)c(C(F)F)n3)C2)CC1
InChIInChI=1S/C27H35F2N9O2/c1-17(39)35-9-7-19(8-10-35)36-13-20(14-36)37-15-23(24(34-37)25(28)29)33-26(40)22-6-4-5-21(32-22)18-11-31-38(12-18)27(2,3)16-30/h4-6,11-12,15,19-20,25H,7-10,13-14,16,30H2,1-3H3,(H,33,40)
InChIKeyGNVIBYGMCJFYRW-UHFFFAOYSA-N
XLogP2.89
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.63
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide (CID 146437510) is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide is CC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(C(C)(C)CN)c5)n4)c(C(F)F)n3)C2)CC1.
What is the InChIKey of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is GNVIBYGMCJFYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F2N9O2/c1-17(39)35-9-7-19(8-10-35)36-13-20(14-36)37-15-23(24(34-37)25(28)29)33-26(40)22-6-4-5-21(32-22)18-11-31-38(12-18)27(2,3)16-30/h4-6,11-12,15,19-20,25H,7-10,13-14,16,30H2,1-3H3,(H,33,40).
What are the key properties of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?
N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 555.63 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(1-amino-2-methylpropan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146437510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).