4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine

C18H16N6O — CID 165148143

IUPAC4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine
SMILESCOc1cc2[nH]ncc2cc1Nc1ncncc1Nc1ccccc1
InChIInChI=1S/C18H16N6O/c1-25-17-8-14-12(9-21-24-14)7-15(17)23-18-16(10-19-11-20-18)22-13-5-3-2-4-6-13/h2-11,22H,1H3,(H,21,24)(H,19,20,23)
InChIKeySUKYMACCTYLXSS-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.85
Rot. Bonds5

About 4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine

4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine (PubChem CID 165148143) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine
PubChem CID165148143
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine
SMILESCOc1cc2[nH]ncc2cc1Nc1ncncc1Nc1ccccc1
InChIInChI=1S/C18H16N6O/c1-25-17-8-14-12(9-21-24-14)7-15(17)23-18-16(10-19-11-20-18)22-13-5-3-2-4-6-13/h2-11,22H,1H3,(H,21,24)(H,19,20,23)
InChIKeySUKYMACCTYLXSS-UHFFFAOYSA-N
XLogP3.85
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine
CID 175369244
6-methoxy-N-methyl-1H-indazol-5-amine
CID 153364692
5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine
CID 153159221
4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine
CID 131967732
N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine
CID 166920643
2,4,5-trimethoxy-N-phenylaniline
CID 151522704
(7S)-N-(6-methoxy-1H-indazol-5-yl)-7-(methoxymethyl)-7-methyl-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 144675944
N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 16876701
(7S)-7-ethyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid
CID 90317290
[benzyl-[3-(dimethylamino)propyl]amino]-[(7S)-4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]methanol
CID 144847675
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 68913809
[4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl] N-methyl-N-propan-2-ylcarbamate
CID 121408479

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine (CID 165148143) is 4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine is COc1cc2[nH]ncc2cc1Nc1ncncc1Nc1ccccc1.
What is the InChIKey of 4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine?
The InChIKey is SUKYMACCTYLXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-25-17-8-14-12(9-21-24-14)7-15(17)23-18-16(10-19-11-20-18)22-13-5-3-2-4-6-13/h2-11,22H,1H3,(H,21,24)(H,19,20,23).
What are the key properties of 4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine?
4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine has a molecular weight of 332.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methoxy-1H-indazol-5-yl)-5-N-phenylpyrimidine-4,5-diamine is sourced from PubChem (CID 165148143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).