1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide

C26H31FN6O — CID 42360317

IUPAC1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(N3CCCCC3)CCCC2)cnn1-c1nccc(-c2ccccc2F)n1
InChIInChI=1S/C26H31FN6O/c1-19-21(24(34)29-18-26(12-5-6-13-26)32-15-7-2-8-16-32)17-30-33(19)25-28-14-11-23(31-25)20-9-3-4-10-22(20)27/h3-4,9-11,14,17H,2,5-8,12-13,15-16,18H2,1H3,(H,29,34)
InChIKeyKZUXBIYCWVVVHL-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.31
Rot. Bonds6

About 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide

1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide (PubChem CID 42360317) has the molecular formula C26H31FN6O and a molecular weight of 462.57 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide
PubChem CID42360317
Molecular FormulaC26H31FN6O
Molecular Weight462.57 g/mol
Exact Mass462.25
IUPAC Name1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(N3CCCCC3)CCCC2)cnn1-c1nccc(-c2ccccc2F)n1
InChIInChI=1S/C26H31FN6O/c1-19-21(24(34)29-18-26(12-5-6-13-26)32-15-7-2-8-16-32)17-30-33(19)25-28-14-11-23(31-25)20-9-3-4-10-22(20)27/h3-4,9-11,14,17H,2,5-8,12-13,15-16,18H2,1H3,(H,29,34)
InChIKeyKZUXBIYCWVVVHL-UHFFFAOYSA-N
XLogP4.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide (CID 42360317) is 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCC2(N3CCCCC3)CCCC2)cnn1-c1nccc(-c2ccccc2F)n1.
What is the InChIKey of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide?
The InChIKey is KZUXBIYCWVVVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O/c1-19-21(24(34)29-18-26(12-5-6-13-26)32-15-7-2-8-16-32)17-30-33(19)25-28-14-11-23(31-25)20-9-3-4-10-22(20)27/h3-4,9-11,14,17H,2,5-8,12-13,15-16,18H2,1H3,(H,29,34).
What are the key properties of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide?
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42360317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).