cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C19H17FN6O2 — CID 135345253

IUPACcis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESNc1nc(-c2cncc3c2OCCN3)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChIInChI=1S/C19H17FN6O2/c20-13-5-10(13)19(27)26-16-4-9-3-14(25-18(21)11(9)7-24-16)12-6-22-8-15-17(12)28-2-1-23-15/h3-4,6-8,10,13,23H,1-2,5H2,(H2,21,25)(H,24,26,27)/t10-,13+/m1/s1
InChIKeyBSODVOSIESZENS-MFKMUULPSA-N
MW380.38 g/mol
LogP2.37
Rot. Bonds3

About cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135345253) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135345253
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Namecis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESNc1nc(-c2cncc3c2OCCN3)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChIInChI=1S/C19H17FN6O2/c20-13-5-10(13)19(27)26-16-4-9-3-14(25-18(21)11(9)7-24-16)12-6-22-8-15-17(12)28-2-1-23-15/h3-4,6-8,10,13,23H,1-2,5H2,(H2,21,25)(H,24,26,27)/t10-,13+/m1/s1
InChIKeyBSODVOSIESZENS-MFKMUULPSA-N
XLogP2.37
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 135345253) is cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is Nc1nc(-c2cncc3c2OCCN3)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12.
What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is BSODVOSIESZENS-MFKMUULPSA-N. The full InChI is InChI=1S/C19H17FN6O2/c20-13-5-10(13)19(27)26-16-4-9-3-14(25-18(21)11(9)7-24-16)12-6-22-8-15-17(12)28-2-1-23-15/h3-4,6-8,10,13,23H,1-2,5H2,(H2,21,25)(H,24,26,27)/t10-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135345253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).