N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H29F2N7O — CID 156795209

IUPACN-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCC(n2cc(NC(=O)c3cnn4ccc(C5CCNCC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C23H29F2N7O/c1-14-2-4-16(5-3-14)32-13-19(20(30-32)21(24)25)29-23(33)17-12-27-31-11-8-18(28-22(17)31)15-6-9-26-10-7-15/h8,11-16,21,26H,2-7,9-10H2,1H3,(H,29,33)
InChIKeyQXQUIOWKLUAMJT-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.33
Rot. Bonds5

About N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 156795209) has the molecular formula C23H29F2N7O and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID156795209
Molecular FormulaC23H29F2N7O
Molecular Weight457.53 g/mol
Exact Mass457.24
IUPAC NameN-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCC(n2cc(NC(=O)c3cnn4ccc(C5CCNCC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C23H29F2N7O/c1-14-2-4-16(5-3-14)32-13-19(20(30-32)21(24)25)29-23(33)17-12-27-31-11-8-18(28-22(17)31)15-6-9-26-10-7-15/h8,11-16,21,26H,2-7,9-10H2,1H3,(H,29,33)
InChIKeyQXQUIOWKLUAMJT-UHFFFAOYSA-N
XLogP4.33
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 156795209) is N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1CCC(n2cc(NC(=O)c3cnn4ccc(C5CCNCC5)nc34)c(C(F)F)n2)CC1.
What is the InChIKey of N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QXQUIOWKLUAMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N7O/c1-14-2-4-16(5-3-14)32-13-19(20(30-32)21(24)25)29-23(33)17-12-27-31-11-8-18(28-22(17)31)15-6-9-26-10-7-15/h8,11-16,21,26H,2-7,9-10H2,1H3,(H,29,33).
What are the key properties of N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 156795209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).