cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C16H15FN6O — CID 135344656

IUPACcis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCn1nccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1
InChIInChI=1S/C16H15FN6O/c1-23-13(2-3-20-23)12-4-8-5-14(19-7-10(8)15(18)21-12)22-16(24)9-6-11(9)17/h2-5,7,9,11H,6H2,1H3,(H2,18,21)(H,19,22,24)/t9-,11+/m1/s1
InChIKeyXHHSYOIOCHJPKH-KOLCDFICSA-N
MW326.34 g/mol
LogP1.91
Rot. Bonds3

About cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135344656) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135344656
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC Namecis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCn1nccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1
InChIInChI=1S/C16H15FN6O/c1-23-13(2-3-20-23)12-4-8-5-14(19-7-10(8)15(18)21-12)22-16(24)9-6-11(9)17/h2-5,7,9,11H,6H2,1H3,(H2,18,21)(H,19,22,24)/t9-,11+/m1/s1
InChIKeyXHHSYOIOCHJPKH-KOLCDFICSA-N
XLogP1.91
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 135344656) is cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is Cn1nccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.
What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is XHHSYOIOCHJPKH-KOLCDFICSA-N. The full InChI is InChI=1S/C16H15FN6O/c1-23-13(2-3-20-23)12-4-8-5-14(19-7-10(8)15(18)21-12)22-16(24)9-6-11(9)17/h2-5,7,9,11H,6H2,1H3,(H2,18,21)(H,19,22,24)/t9-,11+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 326.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135344656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).