N-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H34N8O — CID 90271992

IUPACN-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(C4CCCC(C)C4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C28H34N8O/c1-19-5-3-6-22(15-19)34-13-9-21(10-14-34)24-16-26(36(33-24)25-8-7-20(2)17-30-25)32-28(37)23-18-31-35-12-4-11-29-27(23)35/h4,7-8,11-12,16-19,21-22H,3,5-6,9-10,13-15H2,1-2H3,(H,32,37)
InChIKeyBEIBMAAXWPHGTE-UHFFFAOYSA-N
MW498.64 g/mol
LogP4.63
Rot. Bonds5

About N-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90271992) has the molecular formula C28H34N8O and a molecular weight of 498.64 g/mol. Its IUPAC name is N-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90271992
Molecular FormulaC28H34N8O
Molecular Weight498.64 g/mol
Exact Mass498.29
IUPAC NameN-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(C4CCCC(C)C4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C28H34N8O/c1-19-5-3-6-22(15-19)34-13-9-21(10-14-34)24-16-26(36(33-24)25-8-7-20(2)17-30-25)32-28(37)23-18-31-35-12-4-11-29-27(23)35/h4,7-8,11-12,16-19,21-22H,3,5-6,9-10,13-15H2,1-2H3,(H,32,37)
InChIKeyBEIBMAAXWPHGTE-UHFFFAOYSA-N
XLogP4.63
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.64
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90271992) is N-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CCN(C4CCCC(C)C4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.
What is the InChIKey of N-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BEIBMAAXWPHGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O/c1-19-5-3-6-22(15-19)34-13-9-21(10-14-34)24-16-26(36(33-24)25-8-7-20(2)17-30-25)32-28(37)23-18-31-35-12-4-11-29-27(23)35/h4,7-8,11-12,16-19,21-22H,3,5-6,9-10,13-15H2,1-2H3,(H,32,37).
What are the key properties of N-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 498.64 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-methylcyclohexyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90271992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).