N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine

C22H22N6O2 — CID 52941280

IUPACN-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H22N6O2/c1-29-18-4-2-3-15(12-18)20-13-21(26-22(25-20)28-7-9-30-10-8-28)24-17-5-6-19-16(11-17)14-23-27-19/h2-6,11-14H,7-10H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyNGGBFMVANHAJOQ-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.61
Rot. Bonds5

About N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine

N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 52941280) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID52941280
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H22N6O2/c1-29-18-4-2-3-15(12-18)20-13-21(26-22(25-20)28-7-9-30-10-8-28)24-17-5-6-19-16(11-17)14-23-27-19/h2-6,11-14H,7-10H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyNGGBFMVANHAJOQ-UHFFFAOYSA-N
XLogP3.61
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-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 N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine (CID 52941280) is N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine is COc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is NGGBFMVANHAJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-29-18-4-2-3-15(12-18)20-13-21(26-22(25-20)28-7-9-30-10-8-28)24-17-5-6-19-16(11-17)14-23-27-19/h2-6,11-14H,7-10H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 402.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 52941280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).