4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine

C22H15N7S — CID 59130283

IUPAC4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESc1ccc2cc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)ncc2c1
InChIInChI=1S/C22H15N7S/c1-2-4-14-11-23-19(10-13(14)3-1)27-22-26-18-7-8-30-20(18)21(28-22)25-16-5-6-17-15(9-16)12-24-29-17/h1-12H,(H,24,29)(H2,23,25,26,27,28)
InChIKeyAYVGHSUYXZNEHT-UHFFFAOYSA-N
MW409.48 g/mol
LogP5.60
Rot. Bonds4

About 4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine

4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 59130283) has the molecular formula C22H15N7S and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID59130283
Molecular FormulaC22H15N7S
Molecular Weight409.48 g/mol
Exact Mass409.11
IUPAC Name4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESc1ccc2cc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)ncc2c1
InChIInChI=1S/C22H15N7S/c1-2-4-14-11-23-19(10-13(14)3-1)27-22-26-18-7-8-30-20(18)21(28-22)25-16-5-6-17-15(9-16)12-24-29-17/h1-12H,(H,24,29)(H2,23,25,26,27,28)
InChIKeyAYVGHSUYXZNEHT-UHFFFAOYSA-N
XLogP5.60
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130282
4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130295
2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130365
5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one
CID 142265210
4-N-(1H-indazol-5-yl)-2-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 10216807
2-N-(6-bromo-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 162005828
2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130336
4-N-(1H-indazol-5-yl)-2-N-[[3-(iodomethyl)-4-methylphenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 89329732
4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 142265231
2-N-[3-cyclopropyl-1-methyl-2-(trifluoromethyl)tetrazole-1,3-diium-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 58988162
N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-4-amine
CID 59130339
2-(5-bromo-2,3-dihydroindol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine
CID 59130314

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine (CID 59130283) is 4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine is c1ccc2cc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)ncc2c1.
What is the InChIKey of 4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is AYVGHSUYXZNEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7S/c1-2-4-14-11-23-19(10-13(14)3-1)27-22-26-18-7-8-30-20(18)21(28-22)25-16-5-6-17-15(9-16)12-24-29-17/h1-12H,(H,24,29)(H2,23,25,26,27,28).
What are the key properties of 4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine?
4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 409.48 g/mol, XLogP of 5.60, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 59130283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).