7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H25F2N5O2 — CID 995554

IUPAC7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCCCC5)cc4)c3n2)cc1
InChIInChI=1S/C27H25F2N5O2/c1-17-5-7-18(8-6-17)22-15-23(24(28)29)34-25(32-22)21(16-30-34)26(35)31-20-11-9-19(10-12-20)27(36)33-13-3-2-4-14-33/h5-12,15-16,24H,2-4,13-14H2,1H3,(H,31,35)
InChIKeyIWAUCZWCTNVNQO-UHFFFAOYSA-N
MW489.53 g/mol
LogP5.52
Rot. Bonds5

About 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 995554) has the molecular formula C27H25F2N5O2 and a molecular weight of 489.53 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID995554
Molecular FormulaC27H25F2N5O2
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCCCC5)cc4)c3n2)cc1
InChIInChI=1S/C27H25F2N5O2/c1-17-5-7-18(8-6-17)22-15-23(24(28)29)34-25(32-22)21(16-30-34)26(35)31-20-11-9-19(10-12-20)27(36)33-13-3-2-4-14-33/h5-12,15-16,24H,2-4,13-14H2,1H3,(H,31,35)
InChIKeyIWAUCZWCTNVNQO-UHFFFAOYSA-N
XLogP5.52
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995458
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995525
azepan-1-yl-[7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 4772783
7-(difluoromethyl)-5-(4-fluorophenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459915
[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1094009
N-(1-butylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17060254
N-(4-cyanophenyl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995522
7-(difluoromethyl)-N-(3-hydroxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447322
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995519
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
[(8aR)-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-2-yl]-[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 2056463
[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 3158188

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 995554) is 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCCCC5)cc4)c3n2)cc1.
What is the InChIKey of 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IWAUCZWCTNVNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O2/c1-17-5-7-18(8-6-17)22-15-23(24(28)29)34-25(32-22)21(16-30-34)26(35)31-20-11-9-19(10-12-20)27(36)33-13-3-2-4-14-33/h5-12,15-16,24H,2-4,13-14H2,1H3,(H,31,35).
What are the key properties of 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 489.53 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 995554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).