N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H26ClFN6O2 — CID 122672769

IUPACN-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1)c1cnn2cc(N3CCCC3)cnc12
InChIInChI=1S/C24H26ClFN6O2/c25-20-11-16(26)5-8-21(20)30-23(33)15-3-6-17(7-4-15)29-24(34)19-13-28-32-14-18(12-27-22(19)32)31-9-1-2-10-31/h5,8,11-15,17H,1-4,6-7,9-10H2,(H,29,34)(H,30,33)
InChIKeyZIOKPCSWTWKVAI-UHFFFAOYSA-N
MW484.96 g/mol
LogP4.05
Rot. Bonds5

About N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122672769) has the molecular formula C24H26ClFN6O2 and a molecular weight of 484.96 g/mol. Its IUPAC name is N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122672769
Molecular FormulaC24H26ClFN6O2
Molecular Weight484.96 g/mol
Exact Mass484.18
IUPAC NameN-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1)c1cnn2cc(N3CCCC3)cnc12
InChIInChI=1S/C24H26ClFN6O2/c25-20-11-16(26)5-8-21(20)30-23(33)15-3-6-17(7-4-15)29-24(34)19-13-28-32-14-18(12-27-22(19)32)31-9-1-2-10-31/h5,8,11-15,17H,1-4,6-7,9-10H2,(H,29,34)(H,30,33)
InChIKeyZIOKPCSWTWKVAI-UHFFFAOYSA-N
XLogP4.05
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.96
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate
CID 122672310
N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-8-carboxamide
CID 134497831
4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 122679352
4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 122672313
3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;N-(2-chloro-4-fluorophenyl)cyclohexanecarboxamide
CID 145182203
N-(2-chloro-4-fluorophenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071102
1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 78896653
N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide
CID 50845661
4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide
CID 134556662
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 20597993
N-[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138008172
N-(2-chloro-4-fluorophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26692819

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122672769) is N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1)c1cnn2cc(N3CCCC3)cnc12.
What is the InChIKey of N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZIOKPCSWTWKVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN6O2/c25-20-11-16(26)5-8-21(20)30-23(33)15-3-6-17(7-4-15)29-24(34)19-13-28-32-14-18(12-27-22(19)32)31-9-1-2-10-31/h5,8,11-15,17H,1-4,6-7,9-10H2,(H,29,34)(H,30,33).
What are the key properties of N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 484.96 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122672769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).