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

C19H15FN6O3 — CID 135344895

IUPACcis-(1S,2S)-N-[8-amino-6-(3-oxo-4H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESNc1nc(-c2cncc3c2OCC(=O)N3)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChIInChI=1S/C19H15FN6O3/c20-12-3-9(12)19(28)26-15-2-8-1-13(25-18(21)10(8)5-23-15)11-4-22-6-14-17(11)29-7-16(27)24-14/h1-2,4-6,9,12H,3,7H2,(H2,21,25)(H,24,27)(H,23,26,28)/t9-,12+/m1/s1
InChIKeyHZMNTQGFCIODKV-SKDRFNHKSA-N
MW394.37 g/mol
LogP1.90
Rot. Bonds3

About cis-(1S,2S)-N-[8-amino-6-(3-oxo-4H-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-oxo-4H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135344895) has the molecular formula C19H15FN6O3 and a molecular weight of 394.37 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-(3-oxo-4H-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-oxo-4H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135344895
Molecular FormulaC19H15FN6O3
Molecular Weight394.37 g/mol
Exact Mass394.12
IUPAC Namecis-(1S,2S)-N-[8-amino-6-(3-oxo-4H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESNc1nc(-c2cncc3c2OCC(=O)N3)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChIInChI=1S/C19H15FN6O3/c20-12-3-9(12)19(28)26-15-2-8-1-13(25-18(21)10(8)5-23-15)11-4-22-6-14-17(11)29-7-16(27)24-14/h1-2,4-6,9,12H,3,7H2,(H2,21,25)(H,24,27)(H,23,26,28)/t9-,12+/m1/s1
InChIKeyHZMNTQGFCIODKV-SKDRFNHKSA-N
XLogP1.90
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-(3-oxo-4H-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-oxo-4H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 135344895) is cis-(1S,2S)-N-[8-amino-6-(3-oxo-4H-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-oxo-4H-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-oxo-4H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is Nc1nc(-c2cncc3c2OCC(=O)N3)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12.
What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-(3-oxo-4H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is HZMNTQGFCIODKV-SKDRFNHKSA-N. The full InChI is InChI=1S/C19H15FN6O3/c20-12-3-9(12)19(28)26-15-2-8-1-13(25-18(21)10(8)5-23-15)11-4-22-6-14-17(11)29-7-16(27)24-14/h1-2,4-6,9,12H,3,7H2,(H2,21,25)(H,24,27)(H,23,26,28)/t9-,12+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-(3-oxo-4H-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-oxo-4H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 394.37 g/mol, XLogP of 1.90, 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-oxo-4H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135344895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).