[4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C24H21F2N5O4 — CID 2169042

IUPAC[4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c3n2)cc1
InChIInChI=1S/C24H21F2N5O4/c1-34-16-6-4-15(5-7-16)18-13-19(21(25)26)31-22(28-18)17(14-27-31)23(32)29-8-10-30(11-9-29)24(33)20-3-2-12-35-20/h2-7,12-14,21H,8-11H2,1H3
InChIKeyGDWYKYYJFQOMCO-UHFFFAOYSA-N
MW481.46 g/mol
LogP3.53
Rot. Bonds5

About [4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 2169042) has the molecular formula C24H21F2N5O4 and a molecular weight of 481.46 g/mol. Its IUPAC name is [4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID2169042
Molecular FormulaC24H21F2N5O4
Molecular Weight481.46 g/mol
Exact Mass481.16
IUPAC Name[4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c3n2)cc1
InChIInChI=1S/C24H21F2N5O4/c1-34-16-6-4-15(5-7-16)18-13-19(21(25)26)31-22(28-18)17(14-27-31)23(32)29-8-10-30(11-9-29)24(33)20-3-2-12-35-20/h2-7,12-14,21H,8-11H2,1H3
InChIKeyGDWYKYYJFQOMCO-UHFFFAOYSA-N
XLogP3.53
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-hydroxyphenethyl)-8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxamide
CID 11646269
[5-(4-Methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](morpholin-4-yl)methanone
CID 1046563
5-(2-Furyl)-2-[(4-phenyl-1-piperazinyl)carbonyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1102034
3,4-dihydroisoquinolin-2(1H)-yl[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 1164916
5-(2-furyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1223566
[7-(Difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 1094062
7-(difluoromethyl)-N-(2-furylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1259765
7-(difluoromethyl)-5-(4-methoxyphenyl)-3-[(2-methyl-1H-imidazol-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1259791
5-(4-Methoxyphenyl)-3-[(2-pyridin-3-ylpiperidin-1-yl)carbonyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4917699
5-(furan-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17020671
(3,4-Dihydro-2H-quinolin-1-yl)-(5-furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-methanone
CID 654073
2-[(4-Benzoyl-1-piperazinyl)carbonyl]-3-bromo-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1043228

Frequently Asked Questions

What is the IUPAC name of [4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 2169042) is [4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c3n2)cc1.
What is the InChIKey of [4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is GDWYKYYJFQOMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O4/c1-34-16-6-4-15(5-7-16)18-13-19(21(25)26)31-22(28-18)17(14-27-31)23(32)29-8-10-30(11-9-29)24(33)20-3-2-12-35-20/h2-7,12-14,21H,8-11H2,1H3.
What are the key properties of [4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 481.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 2169042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).