N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine

C19H19N5O — CID 67283019

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine
SMILESCOc1cc(Nc2cccc3cn(C)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H19N5O/c1-13-10-24(12-20-13)17-8-7-15(9-18(17)25-3)21-16-6-4-5-14-11-23(2)22-19(14)16/h4-12,21H,1-3H3
InChIKeyVFBJOWURJQKUOE-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.82
Rot. Bonds4

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine (PubChem CID 67283019) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine
PubChem CID67283019
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine
SMILESCOc1cc(Nc2cccc3cn(C)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H19N5O/c1-13-10-24(12-20-13)17-8-7-15(9-18(17)25-3)21-16-6-4-5-14-11-23(2)22-19(14)16/h4-12,21H,1-3H3
InChIKeyVFBJOWURJQKUOE-UHFFFAOYSA-N
XLogP3.82
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine (CID 67283019) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine is COc1cc(Nc2cccc3cn(C)nc23)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine?
The InChIKey is VFBJOWURJQKUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-10-24(12-20-13)17-8-7-15(9-18(17)25-3)21-16-6-4-5-14-11-23(2)22-19(14)16/h4-12,21H,1-3H3.
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine has a molecular weight of 333.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methylindazol-7-amine is sourced from PubChem (CID 67283019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).