1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine

C22H25FN4 — CID 177143045

IUPAC1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine
SMILESFc1cccc(-c2nn(CC3CC3)c3cc(NC4CCNCC4)ccc23)c1
InChIInChI=1S/C22H25FN4/c23-17-3-1-2-16(12-17)22-20-7-6-19(25-18-8-10-24-11-9-18)13-21(20)27(26-22)14-15-4-5-15/h1-3,6-7,12-13,15,18,24-25H,4-5,8-11,14H2
InChIKeyAGXWRFALEMOAIL-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.42
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine

1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine (PubChem CID 177143045) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine
PubChem CID177143045
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine
SMILESFc1cccc(-c2nn(CC3CC3)c3cc(NC4CCNCC4)ccc23)c1
InChIInChI=1S/C22H25FN4/c23-17-3-1-2-16(12-17)22-20-7-6-19(25-18-8-10-24-11-9-18)13-21(20)27(26-22)14-15-4-5-15/h1-3,6-7,12-13,15,18,24-25H,4-5,8-11,14H2
InChIKeyAGXWRFALEMOAIL-UHFFFAOYSA-N
XLogP4.42
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine?
The IUPAC name of 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine (CID 177143045) is 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine is Fc1cccc(-c2nn(CC3CC3)c3cc(NC4CCNCC4)ccc23)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine?
The InChIKey is AGXWRFALEMOAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c23-17-3-1-2-16(12-17)22-20-7-6-19(25-18-8-10-24-11-9-18)13-21(20)27(26-22)14-15-4-5-15/h1-3,6-7,12-13,15,18,24-25H,4-5,8-11,14H2.
What are the key properties of 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine?
1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine has a molecular weight of 364.47 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-N-piperidin-4-ylindazol-6-amine is sourced from PubChem (CID 177143045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).