[8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid

C24H26FN5O4 — CID 146465435

IUPAC[8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid
SMILESCc1c(-c2cc3cc(N(C(=O)O)[C@@H]4CCOC4)ncc3c(N)c2F)cnc2c1NC[C@@H](CO)C2
InChIInChI=1S/C24H26FN5O4/c1-12-17(8-27-19-4-13(10-31)7-29-23(12)19)16-5-14-6-20(28-9-18(14)22(26)21(16)25)30(24(32)33)15-2-3-34-11-15/h5-6,8-9,13,15,29,31H,2-4,7,10-11,26H2,1H3,(H,32,33)/t13-,15+/m0/s1
InChIKeyLWFLBABSEWKEGZ-DZGCQCFKSA-N
MW467.50 g/mol
LogP3.18
Rot. Bonds4

About [8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid

[8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid (PubChem CID 146465435) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is [8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid.

Molecular Properties

Compound Name[8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid
PubChem CID146465435
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name[8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid
SMILESCc1c(-c2cc3cc(N(C(=O)O)[C@@H]4CCOC4)ncc3c(N)c2F)cnc2c1NC[C@@H](CO)C2
InChIInChI=1S/C24H26FN5O4/c1-12-17(8-27-19-4-13(10-31)7-29-23(12)19)16-5-14-6-20(28-9-18(14)22(26)21(16)25)30(24(32)33)15-2-3-34-11-15/h5-6,8-9,13,15,29,31H,2-4,7,10-11,26H2,1H3,(H,32,33)/t13-,15+/m0/s1
InChIKeyLWFLBABSEWKEGZ-DZGCQCFKSA-N
XLogP3.18
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid with MolForge

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Related Compounds

CID 135342866
CID 135342866
CID 135343130
CID 135343130
CID 146463297
CID 146463297
CID 146463321
CID 146463321
CID 146463354
CID 146463354
CID 146463365
CID 146463365
CID 146463428
CID 146463428
CID 146463469
CID 146463469
CID 146463756
CID 146463756
CID 146464986
CID 146464986
CID 146488286
CID 146488286
CID 146488295
CID 146488295

Frequently Asked Questions

What is the IUPAC name of [8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid?
The IUPAC name of [8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid (CID 146465435) is [8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid.
What is the SMILES notation for [8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid?
The canonical SMILES for [8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid is Cc1c(-c2cc3cc(N(C(=O)O)[C@@H]4CCOC4)ncc3c(N)c2F)cnc2c1NC[C@@H](CO)C2.
What is the InChIKey of [8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid?
The InChIKey is LWFLBABSEWKEGZ-DZGCQCFKSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-12-17(8-27-19-4-13(10-31)7-29-23(12)19)16-5-14-6-20(28-9-18(14)22(26)21(16)25)30(24(32)33)15-2-3-34-11-15/h5-6,8-9,13,15,29,31H,2-4,7,10-11,26H2,1H3,(H,32,33)/t13-,15+/m0/s1.
What are the key properties of [8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid?
[8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid has a molecular weight of 467.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-7-fluoro-6-[(7S)-7-(hydroxymethyl)-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl]isoquinolin-3-yl]-[(3R)-oxolan-3-yl]carbamic acid is sourced from PubChem (CID 146465435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).