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

C15H15BrN6O — CID 170352441

IUPAC1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2cc(Br)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C15H15BrN6O/c1-2-18-15(23)20-12-7-8(3-4-19-12)9-5-10-13(11(16)6-9)21-22-14(10)17/h3-7H,2H2,1H3,(H3,17,21,22)(H2,18,19,20,23)
InChIKeyWIFJCZNOWOYNTK-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.11
Rot. Bonds3

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

1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea (PubChem CID 170352441) has the molecular formula C15H15BrN6O and a molecular weight of 375.23 g/mol. Its IUPAC name is 1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea
PubChem CID170352441
Molecular FormulaC15H15BrN6O
Molecular Weight375.23 g/mol
Exact Mass374.05
IUPAC Name1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2cc(Br)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C15H15BrN6O/c1-2-18-15(23)20-12-7-8(3-4-19-12)9-5-10-13(11(16)6-9)21-22-14(10)17/h3-7H,2H2,1H3,(H3,17,21,22)(H2,18,19,20,23)
InChIKeyWIFJCZNOWOYNTK-UHFFFAOYSA-N
XLogP3.11
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.11
H-Bond Donors ≤ 54
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
N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 170352157
[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl] N-methylsulfonylcarbamate
CID 170352570
7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 170351784
1-[4-[3-amino-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]-3-phenylurea
CID 170352100
[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
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
methyl N-[4-[3-amino-7-[2-(1-hydroxycyclopentyl)ethynyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422445
methyl N-[4-[3-amino-7-(5-morpholin-4-ylpent-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422434
1-(4-bromo-2-pyridinyl)-3-propylurea
CID 102820656
1-(2-bromo-4-pyridinyl)-3-ethylurea
CID 130673791

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea?
The IUPAC name of 1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea (CID 170352441) is 1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea.
What is the SMILES notation for 1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea?
The canonical SMILES for 1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea is CCNC(=O)Nc1cc(-c2cc(Br)c3[nH]nc(N)c3c2)ccn1.
What is the InChIKey of 1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea?
The InChIKey is WIFJCZNOWOYNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O/c1-2-18-15(23)20-12-7-8(3-4-19-12)9-5-10-13(11(16)6-9)21-22-14(10)17/h3-7H,2H2,1H3,(H3,17,21,22)(H2,18,19,20,23).
What are the key properties of 1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea?
1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea has a molecular weight of 375.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea is sourced from PubChem (CID 170352441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).