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

C23H20F3N7O — CID 137277102

IUPAC2-(aminomethyl)-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(c2ccc(C(F)(F)F)cc2)n2nc(CN)cc2N1
InChIInChI=1S/C23H20F3N7O/c1-12-20(22(34)30-16-6-7-18-14(8-16)11-28-31-18)21(33-19(29-12)9-17(10-27)32-33)13-2-4-15(5-3-13)23(24,25)26/h2-9,11,21,29H,10,27H2,1H3,(H,28,31)(H,30,34)
InChIKeyXCVTZYJHXNGRFO-UHFFFAOYSA-N
MW467.46 g/mol
LogP4.16
Rot. Bonds4

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

2-(aminomethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 137277102) has the molecular formula C23H20F3N7O and a molecular weight of 467.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID137277102
Molecular FormulaC23H20F3N7O
Molecular Weight467.46 g/mol
Exact Mass467.17
IUPAC Name2-(aminomethyl)-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(c2ccc(C(F)(F)F)cc2)n2nc(CN)cc2N1
InChIInChI=1S/C23H20F3N7O/c1-12-20(22(34)30-16-6-7-18-14(8-16)11-28-31-18)21(33-19(29-12)9-17(10-27)32-33)13-2-4-15(5-3-13)23(24,25)26/h2-9,11,21,29H,10,27H2,1H3,(H,28,31)(H,30,34)
InChIKeyXCVTZYJHXNGRFO-UHFFFAOYSA-N
XLogP4.16
TPSA113.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(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
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
4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 67455754
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-(4-carbamoylphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11303843
4-(3-fluoro-4-methoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11153639
ethyl 7-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(isoquinolin-6-ylcarbamoyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 137277267
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
5-methyl-2-methylsulfanyl-N-phenyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135773767

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 137277102) is 2-(aminomethyl)-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 2-(aminomethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(aminomethyl)-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(c2ccc(C(F)(F)F)cc2)n2nc(CN)cc2N1.
What is the InChIKey of 2-(aminomethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is XCVTZYJHXNGRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O/c1-12-20(22(34)30-16-6-7-18-14(8-16)11-28-31-18)21(33-19(29-12)9-17(10-27)32-33)13-2-4-15(5-3-13)23(24,25)26/h2-9,11,21,29H,10,27H2,1H3,(H,28,31)(H,30,34).
What are the key properties of 2-(aminomethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-(aminomethyl)-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 467.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-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 137277102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).