(7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate

C28H33FN6O2 — CID 146463354

IUPAC(7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate
SMILESCc1c(-c2cc3cc(NC(=O)OC4CC5(CCN(C)CC5)C4)ncc3c(N)c2F)cnc2c1NCCC2
InChIInChI=1S/C28H33FN6O2/c1-16-20(14-32-22-4-3-7-31-26(16)22)19-10-17-11-23(33-15-21(17)25(30)24(19)29)34-27(36)37-18-12-28(13-18)5-8-35(2)9-6-28/h10-11,14-15,18,31H,3-9,12-13,30H2,1-2H3,(H,33,34,36)
InChIKeyWIHIEHFAQFSPAO-UHFFFAOYSA-N
MW504.61 g/mol
LogP5.11
Rot. Bonds3

About (7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate

(7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate (PubChem CID 146463354) has the molecular formula C28H33FN6O2 and a molecular weight of 504.61 g/mol. Its IUPAC name is (7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate.

Molecular Properties

Compound Name(7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate
PubChem CID146463354
Molecular FormulaC28H33FN6O2
Molecular Weight504.61 g/mol
Exact Mass504.26
IUPAC Name(7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate
SMILESCc1c(-c2cc3cc(NC(=O)OC4CC5(CCN(C)CC5)C4)ncc3c(N)c2F)cnc2c1NCCC2
InChIInChI=1S/C28H33FN6O2/c1-16-20(14-32-22-4-3-7-31-26(16)22)19-10-17-11-23(33-15-21(17)25(30)24(19)29)34-27(36)37-18-12-28(13-18)5-8-35(2)9-6-28/h10-11,14-15,18,31H,3-9,12-13,30H2,1-2H3,(H,33,34,36)
InChIKeyWIHIEHFAQFSPAO-UHFFFAOYSA-N
XLogP5.11
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.61
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate?
The IUPAC name of (7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate (CID 146463354) is (7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate.
What is the SMILES notation for (7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate?
The canonical SMILES for (7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate is Cc1c(-c2cc3cc(NC(=O)OC4CC5(CCN(C)CC5)C4)ncc3c(N)c2F)cnc2c1NCCC2.
What is the InChIKey of (7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate?
The InChIKey is WIHIEHFAQFSPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN6O2/c1-16-20(14-32-22-4-3-7-31-26(16)22)19-10-17-11-23(33-15-21(17)25(30)24(19)29)34-27(36)37-18-12-28(13-18)5-8-35(2)9-6-28/h10-11,14-15,18,31H,3-9,12-13,30H2,1-2H3,(H,33,34,36).
What are the key properties of (7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate?
(7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate has a molecular weight of 504.61 g/mol, XLogP of 5.11, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-7-azaspiro[3.5]nonan-2-yl) N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate is sourced from PubChem (CID 146463354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).