N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

C38H38F6N12O2 — CID 161053803

IUPACN-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc2cc(NC(=O)C3CC3C(F)(F)F)ncc2c(N)n1.Cc1nn(C)c(C)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc2c(N)n1
InChIInChI=1S/2C19H19F3N6O/c2*1-8-16(9(2)28(3)27-8)14-4-10-5-15(24-7-12(10)17(23)25-14)26-18(29)11-6-13(11)19(20,21)22/h2*4-5,7,11,13H,6H2,1-3H3,(H2,23,25)(H,24,26,29)/t11-,13-;/m0./s1
InChIKeyUCMCOYNIBJWUMO-JZKFLRDJSA-N
MW808.79 g/mol
LogP6.73
Rot. Bonds6

About N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 161053803) has the molecular formula C38H38F6N12O2 and a molecular weight of 808.79 g/mol. Its IUPAC name is N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID161053803
Molecular FormulaC38H38F6N12O2
Molecular Weight808.79 g/mol
Exact Mass808.31
IUPAC NameN-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc2cc(NC(=O)C3CC3C(F)(F)F)ncc2c(N)n1.Cc1nn(C)c(C)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc2c(N)n1
InChIInChI=1S/2C19H19F3N6O/c2*1-8-16(9(2)28(3)27-8)14-4-10-5-15(24-7-12(10)17(23)25-14)26-18(29)11-6-13(11)19(20,21)22/h2*4-5,7,11,13H,6H2,1-3H3,(H2,23,25)(H,24,26,29)/t11-,13-;/m0./s1
InChIKeyUCMCOYNIBJWUMO-JZKFLRDJSA-N
XLogP6.73
TPSA197.44 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500808.79
LogP ≤ 56.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[7-(5-fluoro-2-methylphenyl)-5-(1H-pyrazol-4-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115145
N-[7-(5-fluoro-2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115257
N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115412
N-[7-(5-fluoro-2-methylphenyl)-5-(1H-pyrazol-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71128067
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344355
cis-N-[8-amino-6-(4-methyl-3-pyridyl)-2,7-naphthyridin-3-yl]-2-fluoro-cyclopropanecarboxamide
CID 135344720
trans-N-(8-amino-5-fluoro-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropanecarboxamide
CID 135344721
trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344914
(1S,2S)-N-(8-amino-5-fluoro-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135345186
trans-N-(8-amino-6-(5-fluoro-2-methylphenyl)-2,7-naphthyridin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropanecarboxamide
CID 139468549
N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]isoquinolin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide
CID 132055458
N-[6-(2-methylpyrazol-3-yl)isoquinolin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 132055764

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 161053803) is N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is Cc1nn(C)c(C)c1-c1cc2cc(NC(=O)C3CC3C(F)(F)F)ncc2c(N)n1.Cc1nn(C)c(C)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)ncc2c(N)n1.
What is the InChIKey of N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is UCMCOYNIBJWUMO-JZKFLRDJSA-N. The full InChI is InChI=1S/2C19H19F3N6O/c2*1-8-16(9(2)28(3)27-8)14-4-10-5-15(24-7-12(10)17(23)25-14)26-18(29)11-6-13(11)19(20,21)22/h2*4-5,7,11,13H,6H2,1-3H3,(H2,23,25)(H,24,26,29)/t11-,13-;/m0./s1.
What are the key properties of N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 808.79 g/mol, XLogP of 6.73, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(1,3,5-trimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 161053803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).