4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol

C24H25F2N7O — CID 156778134

IUPAC4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol
SMILESOC1CCC(c2nc(-c3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)n[nH]2)CC1
InChIInChI=1S/C24H25F2N7O/c25-15-5-8-19(26)17(12-15)20-2-1-10-32(20)21-9-11-33-24(28-21)18(13-27-33)23-29-22(30-31-23)14-3-6-16(34)7-4-14/h5,8-9,11-14,16,20,34H,1-4,6-7,10H2,(H,29,30,31)/t14?,16?,20-/m1/s1
InChIKeyFNRWFPPIGAONKG-QJXPYNDKSA-N
MW465.51 g/mol
LogP4.15
Rot. Bonds4

About 4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol

4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol (PubChem CID 156778134) has the molecular formula C24H25F2N7O and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol
PubChem CID156778134
Molecular FormulaC24H25F2N7O
Molecular Weight465.51 g/mol
Exact Mass465.21
IUPAC Name4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol
SMILESOC1CCC(c2nc(-c3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)n[nH]2)CC1
InChIInChI=1S/C24H25F2N7O/c25-15-5-8-19(26)17(12-15)20-2-1-10-32(20)21-9-11-33-24(28-21)18(13-27-33)23-29-22(30-31-23)14-3-6-16(34)7-4-14/h5,8-9,11-14,16,20,34H,1-4,6-7,10H2,(H,29,30,31)/t14?,16?,20-/m1/s1
InChIKeyFNRWFPPIGAONKG-QJXPYNDKSA-N
XLogP4.15
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol with MolForge

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Related Compounds

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[5-(oxan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine
CID 163606883
1-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]-2,2,2-trifluoroethane-1,1-diol
CID 157021541
1-[4-[5-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-ol
CID 150638050
2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 156778152
(3S)-1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrolidin-3-ol
CID 121333491
6-[5-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline
CID 157021520
[(1S)-1-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl] (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 162503221
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine
CID 150117040
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-ethynylpyrazolo[1,5-a]pyrimidine
CID 121395277
2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 121395278
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine
CID 146660757
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 121394926

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol (CID 156778134) is 4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol is OC1CCC(c2nc(-c3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)n[nH]2)CC1.
What is the InChIKey of 4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol?
The InChIKey is FNRWFPPIGAONKG-QJXPYNDKSA-N. The full InChI is InChI=1S/C24H25F2N7O/c25-15-5-8-19(26)17(12-15)20-2-1-10-32(20)21-9-11-33-24(28-21)18(13-27-33)23-29-22(30-31-23)14-3-6-16(34)7-4-14/h5,8-9,11-14,16,20,34H,1-4,6-7,10H2,(H,29,30,31)/t14?,16?,20-/m1/s1.
What are the key properties of 4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol?
4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol has a molecular weight of 465.51 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 156778134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).