trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

C17H15F3N6O — CID 135345257

IUPACtrans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1[nH]ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)ncc2c(N)n1
InChIInChI=1S/C17H15F3N6O/c1-7-10(6-23-26-7)13-2-8-3-14(22-5-11(8)15(21)24-13)25-16(27)9-4-12(9)17(18,19)20/h2-3,5-6,9,12H,4H2,1H3,(H2,21,24)(H,23,26)(H,22,25,27)/t9-,12-/m1/s1
InChIKeyUWZVBFKZHWPXJR-BXKDBHETSA-N
MW376.34 g/mol
LogP3.05
Rot. Bonds3

About trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 135345257) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID135345257
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC Nametrans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1[nH]ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)ncc2c(N)n1
InChIInChI=1S/C17H15F3N6O/c1-7-10(6-23-26-7)13-2-8-3-14(22-5-11(8)15(21)24-13)25-16(27)9-4-12(9)17(18,19)20/h2-3,5-6,9,12H,4H2,1H3,(H2,21,24)(H,23,26)(H,22,25,27)/t9-,12-/m1/s1
InChIKeyUWZVBFKZHWPXJR-BXKDBHETSA-N
XLogP3.05
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 6539561
N-(8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 135345433
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-phenylurea
CID 71555839
N-(8-(4-(1-Methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)acetamide
CID 118660815
1-Isobutyl-N-(6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-3-yl)piperidine-4-carboxamide
CID 132056255
N-[7-(1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410605
N-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410849
N-[7-(5-methyl-1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411442
N-[7-(4-methyl-1H-pyrazol-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67976201
2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 67976351
N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 68095321
cis-(1S,2S)-2-fluoro-N-[7-(5-methyl-1H-indazol-4-yl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 71115128

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 135345257) is trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is Cc1[nH]ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)ncc2c(N)n1.
What is the InChIKey of trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is UWZVBFKZHWPXJR-BXKDBHETSA-N. The full InChI is InChI=1S/C17H15F3N6O/c1-7-10(6-23-26-7)13-2-8-3-14(22-5-11(8)15(21)24-13)25-16(27)9-4-12(9)17(18,19)20/h2-3,5-6,9,12H,4H2,1H3,(H2,21,24)(H,23,26)(H,22,25,27)/t9-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135345257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).