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

C17H12F3N7O — CID 135345311

IUPACcis-(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
InChIInChI=1S/C17H12F3N7O/c18-17(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/h2-3,5-6,8-9H,1H2,(H2,22,25)(H,24,27)(H,23,26,28)/t8-,9+/m0/s1
InChIKeyCEAXHLVQANASCX-DTWKUNHWSA-N
MW387.33 g/mol
LogP2.72
Rot. Bonds3

About cis-(1R,2R)-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 135345311) has the molecular formula C17H12F3N7O and a molecular weight of 387.33 g/mol. Its IUPAC name is 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-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID135345311
Molecular FormulaC17H12F3N7O
Molecular Weight387.33 g/mol
Exact Mass387.11
IUPAC Namecis-(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
InChIInChI=1S/C17H12F3N7O/c18-17(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/h2-3,5-6,8-9H,1H2,(H2,22,25)(H,24,27)(H,23,26,28)/t8-,9+/m0/s1
InChIKeyCEAXHLVQANASCX-DTWKUNHWSA-N
XLogP2.72
TPSA133.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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-(1R,2R)-N-[8-amino-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 135345311) is 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-(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-(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.
What is the InChIKey of 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 CEAXHLVQANASCX-DTWKUNHWSA-N. The full InChI is InChI=1S/C17H12F3N7O/c18-17(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/h2-3,5-6,8-9H,1H2,(H2,22,25)(H,24,27)(H,23,26,28)/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2R)-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 387.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 135345311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).