cis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C20H18FN5O2 — CID 157087110

IUPACcis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESNc1nc(-c2cccc3c2OCCN3)cc2cc(NC(=O)[C@H]3C[C@H]3F)ncc12
InChIInChI=1S/C20H18FN5O2/c21-14-8-12(14)20(27)26-17-7-10-6-16(25-19(22)13(10)9-24-17)11-2-1-3-15-18(11)28-5-4-23-15/h1-3,6-7,9,12,14,23H,4-5,8H2,(H2,22,25)(H,24,26,27)/t12-,14+/m0/s1
InChIKeyZKNQLZBAYCOINQ-GXTWGEPZSA-N
MW379.40 g/mol
LogP2.98
Rot. Bonds3

About cis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 157087110) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is cis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID157087110
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Namecis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESNc1nc(-c2cccc3c2OCCN3)cc2cc(NC(=O)[C@H]3C[C@H]3F)ncc12
InChIInChI=1S/C20H18FN5O2/c21-14-8-12(14)20(27)26-17-7-10-6-16(25-19(22)13(10)9-24-17)11-2-1-3-15-18(11)28-5-4-23-15/h1-3,6-7,9,12,14,23H,4-5,8H2,(H2,22,25)(H,24,26,27)/t12-,14+/m0/s1
InChIKeyZKNQLZBAYCOINQ-GXTWGEPZSA-N
XLogP2.98
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

cis-(1R,2R)-N-[8-amino-6-(3-oxo-4H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 159539091
cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 152996015
cis-(1S,2S)-N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135345077
cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 157062355
cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-oxo-1H-pyridin-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 139468861
4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide
CID 139468854
N-[8-amino-6-(1,5-dimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344388
N-[8-amino-6-[2-(hydroxymethyl)-5-methyl-4-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344858
cis-(1R,2R)-N-[8-amino-6-(7-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 139468629
cis-(1R,2R)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 157171811
tert-butyl N-[5-[1-amino-6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methyl-2-pyridinyl]carbamate
CID 139468624
cis-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
CID 158215119

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 157087110) is cis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is Nc1nc(-c2cccc3c2OCCN3)cc2cc(NC(=O)[C@H]3C[C@H]3F)ncc12.
What is the InChIKey of cis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is ZKNQLZBAYCOINQ-GXTWGEPZSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-14-8-12(14)20(27)26-17-7-10-6-16(25-19(22)13(10)9-24-17)11-2-1-3-15-18(11)28-5-4-23-15/h1-3,6-7,9,12,14,23H,4-5,8H2,(H2,22,25)(H,24,26,27)/t12-,14+/m0/s1.
What are the key properties of cis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1R,2R)-N-[8-amino-6-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 2.98, 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-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 157087110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).