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

C25H29FN6O2 — CID 28854259

IUPAC1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(N3CCOCC3)CCCC2)cnn1-c1nccc(-c2ccccc2F)n1
InChIInChI=1S/C25H29FN6O2/c1-18-20(23(33)28-17-25(9-4-5-10-25)31-12-14-34-15-13-31)16-29-32(18)24-27-11-8-22(30-24)19-6-2-3-7-21(19)26/h2-3,6-8,11,16H,4-5,9-10,12-15,17H2,1H3,(H,28,33)
InChIKeyNUHNQSNILAGZDQ-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.15
Rot. Bonds6

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

1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide (PubChem CID 28854259) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide
PubChem CID28854259
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC Name1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(N3CCOCC3)CCCC2)cnn1-c1nccc(-c2ccccc2F)n1
InChIInChI=1S/C25H29FN6O2/c1-18-20(23(33)28-17-25(9-4-5-10-25)31-12-14-34-15-13-31)16-29-32(18)24-27-11-8-22(30-24)19-6-2-3-7-21(19)26/h2-3,6-8,11,16H,4-5,9-10,12-15,17H2,1H3,(H,28,33)
InChIKeyNUHNQSNILAGZDQ-UHFFFAOYSA-N
XLogP3.15
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide (CID 28854259) is 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCC2(N3CCOCC3)CCCC2)cnn1-c1nccc(-c2ccccc2F)n1.
What is the InChIKey of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide?
The InChIKey is NUHNQSNILAGZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-18-20(23(33)28-17-25(9-4-5-10-25)31-12-14-34-15-13-31)16-29-32(18)24-27-11-8-22(30-24)19-6-2-3-7-21(19)26/h2-3,6-8,11,16H,4-5,9-10,12-15,17H2,1H3,(H,28,33).
What are the key properties of 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide?
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 28854259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).