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

C24H27FN6O2 — CID 146488817

IUPACpiperidin-4-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)OC4CCNCC4)ncc3c(N)c2F)cnc2c1NCCC2
InChIInChI=1S/C24H27FN6O2/c1-13-17(11-29-19-3-2-6-28-23(13)19)16-9-14-10-20(30-12-18(14)22(26)21(16)25)31-24(32)33-15-4-7-27-8-5-15/h9-12,15,27-28H,2-8,26H2,1H3,(H,30,31,32)
InChIKeyYFBTWDFZMWEHLF-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.99
Rot. Bonds3

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

piperidin-4-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 146488817) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is piperidin-4-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 Namepiperidin-4-yl N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate
PubChem CID146488817
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Namepiperidin-4-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)OC4CCNCC4)ncc3c(N)c2F)cnc2c1NCCC2
InChIInChI=1S/C24H27FN6O2/c1-13-17(11-29-19-3-2-6-28-23(13)19)16-9-14-10-20(30-12-18(14)22(26)21(16)25)31-24(32)33-15-4-7-27-8-5-15/h9-12,15,27-28H,2-8,26H2,1H3,(H,30,31,32)
InChIKeyYFBTWDFZMWEHLF-UHFFFAOYSA-N
XLogP3.99
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-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 piperidin-4-yl N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate (CID 146488817) is piperidin-4-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 piperidin-4-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 piperidin-4-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)OC4CCNCC4)ncc3c(N)c2F)cnc2c1NCCC2.
What is the InChIKey of piperidin-4-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 YFBTWDFZMWEHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-13-17(11-29-19-3-2-6-28-23(13)19)16-9-14-10-20(30-12-18(14)22(26)21(16)25)31-24(32)33-15-4-7-27-8-5-15/h9-12,15,27-28H,2-8,26H2,1H3,(H,30,31,32).
What are the key properties of piperidin-4-yl N-[8-amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl]carbamate?
piperidin-4-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 450.52 g/mol, XLogP of 3.99, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-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 146488817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).