(7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine

C15H21N5O2 — CID 97346494

IUPAC(7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESCOCCn1cc2c(n1)[C@@H](Nc1nccc(OC)n1)CCC2
InChIInChI=1S/C15H21N5O2/c1-21-9-8-20-10-11-4-3-5-12(14(11)19-20)17-15-16-7-6-13(18-15)22-2/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyZPLUSAUQJMVBNH-LBPRGKRZSA-N
MW303.37 g/mol
LogP1.82
Rot. Bonds6

About (7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine

(7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine (PubChem CID 97346494) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine.

Molecular Properties

Compound Name(7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine
PubChem CID97346494
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESCOCCn1cc2c(n1)[C@@H](Nc1nccc(OC)n1)CCC2
InChIInChI=1S/C15H21N5O2/c1-21-9-8-20-10-11-4-3-5-12(14(11)19-20)17-15-16-7-6-13(18-15)22-2/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyZPLUSAUQJMVBNH-LBPRGKRZSA-N
XLogP1.82
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-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 (7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine?
The IUPAC name of (7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine (CID 97346494) is (7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine.
What is the SMILES notation for (7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine?
The canonical SMILES for (7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine is COCCn1cc2c(n1)[C@@H](Nc1nccc(OC)n1)CCC2.
What is the InChIKey of (7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine?
The InChIKey is ZPLUSAUQJMVBNH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-21-9-8-20-10-11-4-3-5-12(14(11)19-20)17-15-16-7-6-13(18-15)22-2/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,17,18)/t12-/m0/s1.
What are the key properties of (7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine?
(7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine has a molecular weight of 303.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine is sourced from PubChem (CID 97346494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).