cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

C34H24F6N14O2 — CID 161013917

IUPACcis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESN#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cn[nH]c3C(F)(F)F)nc(N)c2cn1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cn[nH]c3C(F)(F)F)nc(N)c2cn1
InChIInChI=1S/2C17H12F3N7O/c2*18-17(19,20)14-11(6-24-27-14)12-2-7-3-13(23-5-10(7)15(22)25-12)26-16(28)9-1-8(9)4-21/h2*2-3,5-6,8-9H,1H2,(H2,22,25)(H,24,27)(H,23,26,28)/t2*8-,9+/m10/s1
InChIKeyTXLZHXBUWVJJHW-QUOODJBBSA-N
MW774.65 g/mol
LogP5.44
Rot. Bonds6

About cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 161013917) has the molecular formula C34H24F6N14O2 and a molecular weight of 774.65 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID161013917
Molecular FormulaC34H24F6N14O2
Molecular Weight774.65 g/mol
Exact Mass774.21
IUPAC Namecis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESN#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cn[nH]c3C(F)(F)F)nc(N)c2cn1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cn[nH]c3C(F)(F)F)nc(N)c2cn1
InChIInChI=1S/2C17H12F3N7O/c2*18-17(19,20)14-11(6-24-27-14)12-2-7-3-13(23-5-10(7)15(22)25-12)26-16(28)9-1-8(9)4-21/h2*2-3,5-6,8-9H,1H2,(H2,22,25)(H,24,27)(H,23,26,28)/t2*8-,9+/m10/s1
InChIKeyTXLZHXBUWVJJHW-QUOODJBBSA-N
XLogP5.44
TPSA266.74 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500774.65
LogP ≤ 55.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-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-(1H-pyrazol-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71128067
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
N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135343129
(+-)-trans-N-[8-amino-6-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-isoquinolyl]-2-cyano-cyclopropane Carboxamide
CID 135343147
trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344450
cis-N-(8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 135344519
trans-N-(8-amino-6-(4-(trifluoromethyl)pyridin-3-yl)-2,7-naphthyridin-3-yl)-2-cyanocyclopropane-1-carboxamide
CID 135345004
trans-N-(8-amino-6-(5-methyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane carboxamide
CID 135345257
trans-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyano-cyclopropanecarboxamide
CID 135345311

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 161013917) is cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cn[nH]c3C(F)(F)F)nc(N)c2cn1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cn[nH]c3C(F)(F)F)nc(N)c2cn1.
What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is TXLZHXBUWVJJHW-QUOODJBBSA-N. The full InChI is InChI=1S/2C17H12F3N7O/c2*18-17(19,20)14-11(6-24-27-14)12-2-7-3-13(23-5-10(7)15(22)25-12)26-16(28)9-1-8(9)4-21/h2*2-3,5-6,8-9H,1H2,(H2,22,25)(H,24,27)(H,23,26,28)/t2*8-,9+/m10/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 774.65 g/mol, XLogP of 5.44, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 161013917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).