(2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide

C27H23F2N5O3S — CID 170334124

IUPAC(2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide
SMILESCc1cnc2c(c1)OCCN2c1ccc2cnc(CNC(=O)c3cc(F)c4c(c3)S[C@@H](F)COC4)cc2n1
InChIInChI=1S/C27H23F2N5O3S/c1-15-6-22-26(31-10-15)34(4-5-37-22)25-3-2-16-11-30-18(9-21(16)33-25)12-32-27(35)17-7-20(28)19-13-36-14-24(29)38-23(19)8-17/h2-3,6-11,24H,4-5,12-14H2,1H3,(H,32,35)/t24-/m1/s1
InChIKeyLXUSTJCJBRMLEI-XMMPIXPASA-N
MW535.58 g/mol
LogP4.85
Rot. Bonds4

About (2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide

(2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide (PubChem CID 170334124) has the molecular formula C27H23F2N5O3S and a molecular weight of 535.58 g/mol. Its IUPAC name is (2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide.

Molecular Properties

Compound Name(2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide
PubChem CID170334124
Molecular FormulaC27H23F2N5O3S
Molecular Weight535.58 g/mol
Exact Mass535.15
IUPAC Name(2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide
SMILESCc1cnc2c(c1)OCCN2c1ccc2cnc(CNC(=O)c3cc(F)c4c(c3)S[C@@H](F)COC4)cc2n1
InChIInChI=1S/C27H23F2N5O3S/c1-15-6-22-26(31-10-15)34(4-5-37-22)25-3-2-16-11-30-18(9-21(16)33-25)12-32-27(35)17-7-20(28)19-13-36-14-24(29)38-23(19)8-17/h2-3,6-11,24H,4-5,12-14H2,1H3,(H,32,35)/t24-/m1/s1
InChIKeyLXUSTJCJBRMLEI-XMMPIXPASA-N
XLogP4.85
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.58
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

7-[[5-[2-(Diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(3-methylsulfanylphenyl)-1,6-naphthyridin-2-one
CID 118400029
N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
CID 10483084
N-[1-[2-(3,8-difluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
CID 16065413
N-[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
CID 16065553
N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-(2-methylquinolin-3-yl)oxyacetamide
CID 57869220
N-[4-[6-fluoro-2,4-dioxo-1-(thian-4-yl)pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-quinolin-3-yloxyacetamide
CID 57869336
[4-[6-Amino-5-[[6-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-yl]methoxy]pyridin-3-yl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 58886309
N-[(3S,4R)-1-[2-(3,8-difluoro-6-methoxyquinolin-4-yl)ethyl]-3-fluoropiperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
CID 69656671
N-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide
CID 71012625
4-fluoro-N-[6-(5-piperidin-4-yloxy-3-pyridinyl)-2,7-naphthyridin-3-yl]benzamide
CID 138591291
4-fluoro-N-[2-(5-piperidin-4-yloxy-3-pyridinyl)-1,6-naphthyridin-7-yl]benzamide
CID 138591626
N-[1-(10-fluoro-9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
CID 140686795

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide?
The IUPAC name of (2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide (CID 170334124) is (2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide.
What is the SMILES notation for (2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide?
The canonical SMILES for (2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide is Cc1cnc2c(c1)OCCN2c1ccc2cnc(CNC(=O)c3cc(F)c4c(c3)S[C@@H](F)COC4)cc2n1.
What is the InChIKey of (2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide?
The InChIKey is LXUSTJCJBRMLEI-XMMPIXPASA-N. The full InChI is InChI=1S/C27H23F2N5O3S/c1-15-6-22-26(31-10-15)34(4-5-37-22)25-3-2-16-11-30-18(9-21(16)33-25)12-32-27(35)17-7-20(28)19-13-36-14-24(29)38-23(19)8-17/h2-3,6-11,24H,4-5,12-14H2,1H3,(H,32,35)/t24-/m1/s1.
What are the key properties of (2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide?
(2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide has a molecular weight of 535.58 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-difluoro-N-[[2-(7-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-1,6-naphthyridin-7-yl]methyl]-3,5-dihydro-2H-4,1-benzoxathiepine-8-carboxamide is sourced from PubChem (CID 170334124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).