9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine

C20H17N7 — CID 67396135

IUPAC9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine
SMILESC[C@H](Nc1ncc2ncn(-c3ccc4cn[nH]c4c3)c2n1)c1ccccc1
InChIInChI=1S/C20H17N7/c1-13(14-5-3-2-4-6-14)24-20-21-11-18-19(25-20)27(12-22-18)16-8-7-15-10-23-26-17(15)9-16/h2-13H,1H3,(H,23,26)(H,21,24,25)/t13-/m0/s1
InChIKeyLSVWMSSNNODAGI-ZDUSSCGKSA-N
MW355.41 g/mol
LogP3.86
Rot. Bonds4

About 9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine

9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine (PubChem CID 67396135) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is 9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine.

Molecular Properties

Compound Name9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine
PubChem CID67396135
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC Name9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine
SMILESC[C@H](Nc1ncc2ncn(-c3ccc4cn[nH]c4c3)c2n1)c1ccccc1
InChIInChI=1S/C20H17N7/c1-13(14-5-3-2-4-6-14)24-20-21-11-18-19(25-20)27(12-22-18)16-8-7-15-10-23-26-17(15)9-16/h2-13H,1H3,(H,23,26)(H,21,24,25)/t13-/m0/s1
InChIKeyLSVWMSSNNODAGI-ZDUSSCGKSA-N
XLogP3.86
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-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 9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine?
The IUPAC name of 9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine (CID 67396135) is 9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine.
What is the SMILES notation for 9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine?
The canonical SMILES for 9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine is C[C@H](Nc1ncc2ncn(-c3ccc4cn[nH]c4c3)c2n1)c1ccccc1.
What is the InChIKey of 9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine?
The InChIKey is LSVWMSSNNODAGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H17N7/c1-13(14-5-3-2-4-6-14)24-20-21-11-18-19(25-20)27(12-22-18)16-8-7-15-10-23-26-17(15)9-16/h2-13H,1H3,(H,23,26)(H,21,24,25)/t13-/m0/s1.
What are the key properties of 9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine?
9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine has a molecular weight of 355.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine is sourced from PubChem (CID 67396135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).