3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine

C20H17N9OS — CID 86269149

IUPAC3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1cnc(-c2nn(Cc3nsc(N)n3)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C20H17N9OS/c1-30-15-10-23-19(26-18(15)24-12-6-8-22-9-7-12)17-13-4-2-3-5-14(13)29(27-17)11-16-25-20(21)31-28-16/h2-10H,11H2,1H3,(H2,21,25,28)(H,22,23,24,26)
InChIKeyNLOYTXBYYLEGRV-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.12
Rot. Bonds6

About 3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine

3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 86269149) has the molecular formula C20H17N9OS and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID86269149
Molecular FormulaC20H17N9OS
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC Name3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1cnc(-c2nn(Cc3nsc(N)n3)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C20H17N9OS/c1-30-15-10-23-19(26-18(15)24-12-6-8-22-9-7-12)17-13-4-2-3-5-14(13)29(27-17)11-16-25-20(21)31-28-16/h2-10H,11H2,1H3,(H2,21,25,28)(H,22,23,24,26)
InChIKeyNLOYTXBYYLEGRV-UHFFFAOYSA-N
XLogP3.12
TPSA129.55 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-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

Related Compounds

N-(2-methylphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
CID 56665349
US10266548, Example 2-7-3
CID 71553261
US10266548, Example 2-8-1
CID 71553262
US10266548, Example 2-8-2
CID 71553263
US10266548, Example 2-7-2
CID 71553264
2-[1-(4-bromo-2,6-difluorobenzyl)-1H-indazol-3-yl]-5-methoxy-N-(pyridin-4-yl)pyrimidin-4-amine
CID 71553449
US10266548, Example 2-17-1
CID 71553533
US10266548, Example 2-17-2
CID 71553616
2-[1-(2-fluorobenzyl)-1H-indazol-3-yl]-5-methoxy-N-(pyridin-4-yl)-pyrimidin-4-amine
CID 71553617
2-[1-(2-fluoro-4-iodobenzyl)-1H-indazol-3-yl]-5-methoxy-N-(pyridin-4-yl)pyrimidin-4-amine
CID 71553620
US10266548, Example 2-46-1
CID 71554143
US10266548, Example 2-48-1
CID 71554145

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 86269149) is 3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine is COc1cnc(-c2nn(Cc3nsc(N)n3)c3ccccc23)nc1Nc1ccncc1.
What is the InChIKey of 3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is NLOYTXBYYLEGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N9OS/c1-30-15-10-23-19(26-18(15)24-12-6-8-22-9-7-12)17-13-4-2-3-5-14(13)29(27-17)11-16-25-20(21)31-28-16/h2-10H,11H2,1H3,(H2,21,25,28)(H,22,23,24,26).
What are the key properties of 3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 431.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 86269149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).