4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine

C21H18N4 — CID 135329149

IUPAC4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine
SMILESNc1cc(-c2ccc3c(C4CC4)nn(-c4ccccc4)c3c2)ccn1
InChIInChI=1S/C21H18N4/c22-20-13-16(10-11-23-20)15-8-9-18-19(12-15)25(17-4-2-1-3-5-17)24-21(18)14-6-7-14/h1-5,8-14H,6-7H2,(H2,22,23)
InChIKeyIXUXKVBLSBQQHH-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.55
Rot. Bonds3

About 4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine

4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine (PubChem CID 135329149) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine
PubChem CID135329149
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine
SMILESNc1cc(-c2ccc3c(C4CC4)nn(-c4ccccc4)c3c2)ccn1
InChIInChI=1S/C21H18N4/c22-20-13-16(10-11-23-20)15-8-9-18-19(12-15)25(17-4-2-1-3-5-17)24-21(18)14-6-7-14/h1-5,8-14H,6-7H2,(H2,22,23)
InChIKeyIXUXKVBLSBQQHH-UHFFFAOYSA-N
XLogP4.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine?
The IUPAC name of 4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine (CID 135329149) is 4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine.
What is the SMILES notation for 4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine?
The canonical SMILES for 4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine is Nc1cc(-c2ccc3c(C4CC4)nn(-c4ccccc4)c3c2)ccn1.
What is the InChIKey of 4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine?
The InChIKey is IXUXKVBLSBQQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c22-20-13-16(10-11-23-20)15-8-9-18-19(12-15)25(17-4-2-1-3-5-17)24-21(18)14-6-7-14/h1-5,8-14H,6-7H2,(H2,22,23).
What are the key properties of 4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine?
4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine has a molecular weight of 326.40 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1-phenylindazol-6-yl)pyridin-2-amine is sourced from PubChem (CID 135329149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).