4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C20H14N8OS2 — CID 59130363

IUPAC4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2n1
InChIInChI=1S/C20H14N8OS2/c1-29-15-5-4-14-18(25-15)31-20(24-14)27-19-23-13-6-7-30-16(13)17(26-19)22-11-2-3-12-10(8-11)9-21-28-12/h2-9H,1H3,(H,21,28)(H2,22,23,24,26,27)
InChIKeyDFMSRYYRUVCEIA-UHFFFAOYSA-N
MW446.52 g/mol
LogP5.07
Rot. Bonds5

About 4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine

4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 59130363) has the molecular formula C20H14N8OS2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID59130363
Molecular FormulaC20H14N8OS2
Molecular Weight446.52 g/mol
Exact Mass446.07
IUPAC Name4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2n1
InChIInChI=1S/C20H14N8OS2/c1-29-15-5-4-14-18(25-15)31-20(24-14)27-19-23-13-6-7-30-16(13)17(26-19)22-11-2-3-12-10(8-11)9-21-28-12/h2-9H,1H3,(H,21,28)(H2,22,23,24,26,27)
InChIKeyDFMSRYYRUVCEIA-UHFFFAOYSA-N
XLogP5.07
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-Benzyl-N-(6-methoxy-1H-indazol-5-yl)[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 78321821
N-(6-Methoxy-1H-indazol-5-yl)-2-(methoxymethyl)[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 78322124
N-(6-Methoxy-1H-indazol-5-yl)[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 78322430
2-[(Benzyloxy)methyl]-N-(6-methoxy-1H-indazol-5-yl)[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 78322434
2-(1H-indazol-5-ylamino)-N-(6-methoxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 155511402
4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 10173617
4-N-(1H-indazol-5-yl)-2-N-[[4-(trifluoromethoxy)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 10173821
4-N-(1H-indazol-5-yl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 10150808
4-N-(1H-indazol-5-yl)-2-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 10150809
N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine
CID 10174076
2-N-[(2-ethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 10194553
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 10194817

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 59130363) is 4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine is COc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2n1.
What is the InChIKey of 4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is DFMSRYYRUVCEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N8OS2/c1-29-15-5-4-14-18(25-15)31-20(24-14)27-19-23-13-6-7-30-16(13)17(26-19)22-11-2-3-12-10(8-11)9-21-28-12/h2-9H,1H3,(H,21,28)(H2,22,23,24,26,27).
What are the key properties of 4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 446.52 g/mol, XLogP of 5.07, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-5-yl)-2-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 59130363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).