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

C17H18BrN5O — CID 170352373

IUPACN-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(-c2cc(Br)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C17H18BrN5O/c1-9(2)5-15(24)21-14-8-10(3-4-20-14)11-6-12-16(13(18)7-11)22-23-17(12)19/h3-4,6-9H,5H2,1-2H3,(H3,19,22,23)(H,20,21,24)
InChIKeyMQLYKPPQJHLQOG-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.95
Rot. Bonds4

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

N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide (PubChem CID 170352373) has the molecular formula C17H18BrN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide
PubChem CID170352373
Molecular FormulaC17H18BrN5O
Molecular Weight388.27 g/mol
Exact Mass387.07
IUPAC NameN-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(-c2cc(Br)c3[nH]nc(N)c3c2)ccn1
InChIInChI=1S/C17H18BrN5O/c1-9(2)5-15(24)21-14-8-10(3-4-20-14)11-6-12-16(13(18)7-11)22-23-17(12)19/h3-4,6-9H,5H2,1-2H3,(H3,19,22,23)(H,20,21,24)
InChIKeyMQLYKPPQJHLQOG-UHFFFAOYSA-N
XLogP3.95
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide (CID 170352373) is N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cc(-c2cc(Br)c3[nH]nc(N)c3c2)ccn1.
What is the InChIKey of N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide?
The InChIKey is MQLYKPPQJHLQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O/c1-9(2)5-15(24)21-14-8-10(3-4-20-14)11-6-12-16(13(18)7-11)22-23-17(12)19/h3-4,6-9H,5H2,1-2H3,(H3,19,22,23)(H,20,21,24).
What are the key properties of N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide?
N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide has a molecular weight of 388.27 g/mol, XLogP of 3.95, 4 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]-3-methylbutanamide is sourced from PubChem (CID 170352373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).