(7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H19F3N6O2 — CID 137277134

IUPAC(7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@H](c2ccc(C(F)(F)F)cc2)n2nc(CO)cc2N1
InChIInChI=1S/C23H19F3N6O2/c1-12-20(22(34)29-16-6-7-18-14(8-16)10-27-30-18)21(32-19(28-12)9-17(11-33)31-32)13-2-4-15(5-3-13)23(24,25)26/h2-10,21,28,33H,11H2,1H3,(H,27,30)(H,29,34)/t21-/m0/s1
InChIKeyZIKYFCOIXSQJPU-NRFANRHFSA-N
MW468.44 g/mol
LogP4.20
Rot. Bonds4

About (7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

(7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 137277134) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is (7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID137277134
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name(7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@H](c2ccc(C(F)(F)F)cc2)n2nc(CO)cc2N1
InChIInChI=1S/C23H19F3N6O2/c1-12-20(22(34)29-16-6-7-18-14(8-16)10-27-30-18)21(32-19(28-12)9-17(11-33)31-32)13-2-4-15(5-3-13)23(24,25)26/h2-10,21,28,33H,11H2,1H3,(H,27,30)(H,29,34)/t21-/m0/s1
InChIKeyZIKYFCOIXSQJPU-NRFANRHFSA-N
XLogP4.20
TPSA107.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 137277102
N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
CID 11496831
2-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
CID 11671454
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
CID 11584633
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
CID 11526080
N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91372536
4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 67455754
5-cyclopropyl-7-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(hydroxymethyl)-N-isoquinolin-6-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 137277207
2-(hydroxymethyl)-N-isoquinolin-6-yl-5-methyl-7-(2-phenyl-1,3-thiazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 137277239
4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11153639
4-[3-[[2,6-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888933
4-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11303843

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 137277134) is (7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@H](c2ccc(C(F)(F)F)cc2)n2nc(CO)cc2N1.
What is the InChIKey of (7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZIKYFCOIXSQJPU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-12-20(22(34)29-16-6-7-18-14(8-16)10-27-30-18)21(32-19(28-12)9-17(11-33)31-32)13-2-4-15(5-3-13)23(24,25)26/h2-10,21,28,33H,11H2,1H3,(H,27,30)(H,29,34)/t21-/m0/s1.
What are the key properties of (7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
(7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 137277134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).