N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide

C16H14BrN5O — CID 170352157

IUPACN-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESNc1n[nH]c2c(Br)cc(-c3ccnc(NC(=O)C4CC4)c3)cc12
InChIInChI=1S/C16H14BrN5O/c17-12-6-10(5-11-14(12)21-22-15(11)18)9-3-4-19-13(7-9)20-16(23)8-1-2-8/h3-8H,1-2H2,(H3,18,21,22)(H,19,20,23)
InChIKeyGIABFYORSVUTIN-UHFFFAOYSA-N
MW372.23 g/mol
LogP3.32
Rot. Bonds3

About N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide

N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 170352157) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID170352157
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC NameN-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESNc1n[nH]c2c(Br)cc(-c3ccnc(NC(=O)C4CC4)c3)cc12
InChIInChI=1S/C16H14BrN5O/c17-12-6-10(5-11-14(12)21-22-15(11)18)9-3-4-19-13(7-9)20-16(23)8-1-2-8/h3-8H,1-2H2,(H3,18,21,22)(H,19,20,23)
InChIKeyGIABFYORSVUTIN-UHFFFAOYSA-N
XLogP3.32
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide
CID 170352373
1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea
CID 170352441
[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate
CID 170352570
[4-[3-amino-7-(3-amino-3-methylbut-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamic acid
CID 170351977
methyl N-[4-[3-amino-7-[4-(difluoromethyl)phenyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422415
methyl N-[4-[3-amino-7-[2-(1-hydroxycyclopentyl)ethynyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422445
7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine
CID 170351909
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 155288152
1-[4-[3-amino-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]-3-phenylurea
CID 170352100
N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 155288307

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide (CID 170352157) is N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide is Nc1n[nH]c2c(Br)cc(-c3ccnc(NC(=O)C4CC4)c3)cc12.
What is the InChIKey of N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is GIABFYORSVUTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c17-12-6-10(5-11-14(12)21-22-15(11)18)9-3-4-19-13(7-9)20-16(23)8-1-2-8/h3-8H,1-2H2,(H3,18,21,22)(H,19,20,23).
What are the key properties of N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide?
N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 372.23 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 170352157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).