(5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate

C20H17N5O3 — CID 118555459

IUPAC(5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate
SMILESO=C(Nc1n[nH]c2ccccc12)ON1CCc2c(c(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C20H17N5O3/c26-19-15-11-25(10-9-12(15)13-5-1-3-7-16(13)21-19)28-20(27)22-18-14-6-2-4-8-17(14)23-24-18/h1-8H,9-11H2,(H,21,26)(H2,22,23,24,27)
InChIKeyDEEHBEBJCFZSCZ-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.93
Rot. Bonds2

About (5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate

(5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate (PubChem CID 118555459) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is (5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate.

Molecular Properties

Compound Name(5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate
PubChem CID118555459
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name(5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate
SMILESO=C(Nc1n[nH]c2ccccc12)ON1CCc2c(c(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C20H17N5O3/c26-19-15-11-25(10-9-12(15)13-5-1-3-7-16(13)21-19)28-20(27)22-18-14-6-2-4-8-17(14)23-24-18/h1-8H,9-11H2,(H,21,26)(H2,22,23,24,27)
InChIKeyDEEHBEBJCFZSCZ-UHFFFAOYSA-N
XLogP2.93
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl) N-(1H-indazol-3-yl)carbamate
CID 118555379
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate
CID 118555430
[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate
CID 118555436
[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate
CID 118555428
5-chloro-N-(1H-indazol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 11485368
N-(1H-indazol-3-yl)prop-2-enamide
CID 62686025
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859
N-(1H-indazol-3-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 112527883
2-amino-N-(1H-indazol-3-yl)acetamide;hydrochloride
CID 130729532
N-(1H-indazol-3-yl)-2-piperidin-1-ylbenzamide
CID 126622679
N-(1H-indazol-3-yl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 61068182

Frequently Asked Questions

What is the IUPAC name of (5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate?
The IUPAC name of (5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate (CID 118555459) is (5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate.
What is the SMILES notation for (5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate?
The canonical SMILES for (5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate is O=C(Nc1n[nH]c2ccccc12)ON1CCc2c(c(=O)[nH]c3ccccc23)C1.
What is the InChIKey of (5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate?
The InChIKey is DEEHBEBJCFZSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c26-19-15-11-25(10-9-12(15)13-5-1-3-7-16(13)21-19)28-20(27)22-18-14-6-2-4-8-17(14)23-24-18/h1-8H,9-11H2,(H,21,26)(H2,22,23,24,27).
What are the key properties of (5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate?
(5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate has a molecular weight of 375.39 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate is sourced from PubChem (CID 118555459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).