N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H23F2N9O2 — CID 177055410

IUPACN-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1ccc(-n2cc(NC(=O)c3cnn4ccc(N5CCNCC5)nc34)c(C(F)F)n2)cc1
InChIInChI=1S/C23H23F2N9O2/c1-26-22(35)14-2-4-15(5-3-14)34-13-17(19(31-34)20(24)25)29-23(36)16-12-28-33-9-6-18(30-21(16)33)32-10-7-27-8-11-32/h2-6,9,12-13,20,27H,7-8,10-11H2,1H3,(H,26,35)(H,29,36)
InChIKeyWHSSZIYPCOUHRR-UHFFFAOYSA-N
MW495.49 g/mol
LogP1.87
Rot. Bonds6

About N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 177055410) has the molecular formula C23H23F2N9O2 and a molecular weight of 495.49 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID177055410
Molecular FormulaC23H23F2N9O2
Molecular Weight495.49 g/mol
Exact Mass495.19
IUPAC NameN-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1ccc(-n2cc(NC(=O)c3cnn4ccc(N5CCNCC5)nc34)c(C(F)F)n2)cc1
InChIInChI=1S/C23H23F2N9O2/c1-26-22(35)14-2-4-15(5-3-14)34-13-17(19(31-34)20(24)25)29-23(36)16-12-28-33-9-6-18(30-21(16)33)32-10-7-27-8-11-32/h2-6,9,12-13,20,27H,7-8,10-11H2,1H3,(H,26,35)(H,29,36)
InChIKeyWHSSZIYPCOUHRR-UHFFFAOYSA-N
XLogP1.87
TPSA121.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.49
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

5-(1,4-diazepan-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516630
4-[3-[[3-(difluoromethyl)-1-[4-(hydroxymethyl)phenyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylic acid
CID 155251054
N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 162266155
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155274061
methyl 4-[4-[(5-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-3-(difluoromethyl)pyrazol-1-yl]benzoate
CID 162464944
N-[3-(difluoromethyl)-1-[4-[4-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]butoxy]butylcarbamoyl]phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138728396
N-[3-(difluoromethyl)-1-[4-[6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]butoxy]hexyl]phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161043849
N-(1,3-dimethylpyrazol-4-yl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138727003
4-[4-[3-(difluoromethyl)-4-[(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]piperidin-1-yl]benzoic acid
CID 166733888
tert-butyl 4-[5-[3-(difluoromethyl)-4-[(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 146599491
3,3-difluorobutan-2-one;5-piperazin-1-yl-N-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153138
N-ethyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 159646006

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 177055410) is N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1ccc(-n2cc(NC(=O)c3cnn4ccc(N5CCNCC5)nc34)c(C(F)F)n2)cc1.
What is the InChIKey of N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WHSSZIYPCOUHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N9O2/c1-26-22(35)14-2-4-15(5-3-14)34-13-17(19(31-34)20(24)25)29-23(36)16-12-28-33-9-6-18(30-21(16)33)32-10-7-27-8-11-32/h2-6,9,12-13,20,27H,7-8,10-11H2,1H3,(H,26,35)(H,29,36).
What are the key properties of N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 495.49 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 177055410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).