N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H35F2N7O — CID 156523644

IUPACN-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)C1CCC(n2cc(NC(=O)c3cnn4ccc(C5CCN(C)CC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C26H35F2N7O/c1-16(2)17-4-6-19(7-5-17)35-15-22(23(32-35)24(27)28)31-26(36)20-14-29-34-13-10-21(30-25(20)34)18-8-11-33(3)12-9-18/h10,13-19,24H,4-9,11-12H2,1-3H3,(H,31,36)
InChIKeyQHGATGHERHIJHG-UHFFFAOYSA-N
MW499.61 g/mol
LogP5.31
Rot. Bonds6

About N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 156523644) has the molecular formula C26H35F2N7O and a molecular weight of 499.61 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID156523644
Molecular FormulaC26H35F2N7O
Molecular Weight499.61 g/mol
Exact Mass499.29
IUPAC NameN-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)C1CCC(n2cc(NC(=O)c3cnn4ccc(C5CCN(C)CC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C26H35F2N7O/c1-16(2)17-4-6-19(7-5-17)35-15-22(23(32-35)24(27)28)31-26(36)20-14-29-34-13-10-21(30-25(20)34)18-8-11-33(3)12-9-18/h10,13-19,24H,4-9,11-12H2,1-3H3,(H,31,36)
InChIKeyQHGATGHERHIJHG-UHFFFAOYSA-N
XLogP5.31
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 156523644) is N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)C1CCC(n2cc(NC(=O)c3cnn4ccc(C5CCN(C)CC5)nc34)c(C(F)F)n2)CC1.
What is the InChIKey of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QHGATGHERHIJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F2N7O/c1-16(2)17-4-6-19(7-5-17)35-15-22(23(32-35)24(27)28)31-26(36)20-14-29-34-13-10-21(30-25(20)34)18-8-11-33(3)12-9-18/h10,13-19,24H,4-9,11-12H2,1-3H3,(H,31,36).
What are the key properties of N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 499.61 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 156523644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).