8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine

C17H11BrN6 — CID 71139555

IUPAC8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESBrc1ccc2nc(Nc3ccc4cn[nH]c4c3)c3[nH]ncc3c2c1
InChIInChI=1S/C17H11BrN6/c18-10-2-4-14-12(5-10)13-8-20-24-16(13)17(22-14)21-11-3-1-9-7-19-23-15(9)6-11/h1-8H,(H,19,23)(H,20,24)(H,21,22)
InChIKeyLLHYIMFLXNISQR-UHFFFAOYSA-N
MW379.22 g/mol
LogP4.49
Rot. Bonds2

About 8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine

8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 71139555) has the molecular formula C17H11BrN6 and a molecular weight of 379.22 g/mol. Its IUPAC name is 8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID71139555
Molecular FormulaC17H11BrN6
Molecular Weight379.22 g/mol
Exact Mass378.02
IUPAC Name8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESBrc1ccc2nc(Nc3ccc4cn[nH]c4c3)c3[nH]ncc3c2c1
InChIInChI=1S/C17H11BrN6/c18-10-2-4-14-12(5-10)13-8-20-24-16(13)17(22-14)21-11-3-1-9-7-19-23-15(9)6-11/h1-8H,(H,19,23)(H,20,24)(H,21,22)
InChIKeyLLHYIMFLXNISQR-UHFFFAOYSA-N
XLogP4.49
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline
CID 66574972
N-(1H-indol-5-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139017
N-(4-fluorophenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139183
4-(3,4-dimethoxyanilino)-3H-pyrazolo[5,4-c]quinoline-8-carbonitrile
CID 71139125
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
5-bromo-N-(1H-indazol-6-yl)-1H-indazole-3-carboxamide
CID 117073881
N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139640
N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 16876701
N-(2,3-dihydro-1-benzothiophen-6-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90104965
N-(1-tert-butylpyrazol-4-yl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90104507
N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139901
N-[1-(2-fluoroethyl)pyrazol-4-yl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90103710

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of 8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 71139555) is 8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for 8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for 8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine is Brc1ccc2nc(Nc3ccc4cn[nH]c4c3)c3[nH]ncc3c2c1.
What is the InChIKey of 8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is LLHYIMFLXNISQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN6/c18-10-2-4-14-12(5-10)13-8-20-24-16(13)17(22-14)21-11-3-1-9-7-19-23-15(9)6-11/h1-8H,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of 8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine?
8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 379.22 g/mol, XLogP of 4.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(1H-indazol-6-yl)-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 71139555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).