2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine

C84H57ClN28S4 — CID 158449889

About 2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine

2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 158449889) has the molecular formula C84H57ClN28S4 and a molecular weight of 1622.30 g/mol. Its IUPAC name is 2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 158449889
• Molecular Formula: C84H57ClN28S4
• Molecular Weight: 1622.30 g/mol
• Exact Mass: 1620.39
• IUPAC Name: 2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: Clc1ncccc1Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.c1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c2cccnc2c1.c1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c2ccncc2c1.c1cnc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2c1
• InChI: InChI=1S/3C22H15N7S.C18H12ClN7S/c1-4-17-15(3-2-9-23-17)18(5-1)26-22-27-19-8-10-30-20(19)21(28-22)25-14-6-7-16-13(11-14)12-24-29-16;1-2-13-10-16(3-5-17(13)23-8-1)26-22-27-19-7-9-30-20(19)21(28-22)25-15-4-6-18-14(11-15)12-24-29-18;1-2-13-11-23-8-6-16(13)18(3-1)26-22-27-19-7-9-30-20(19)21(28-22)25-15-4-5-17-14(10-15)12-24-29-17;19-16-14(2-1-6-20-16)24-18-23-13-5-7-27-15(13)17(25-18)22-11-3-4-12-10(8-11)9-21-26-12/h3*1-12H,(H,24,29)(H2,25,26,27,28);1-9H,(H,21,26)(H2,22,23,24,25)
• InChIKey: HDVRYRBGMHSEDA-UHFFFAOYSA-N
• XLogP: 21.91
• TPSA: 365.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1622.30
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine (CID 158449889) is 2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine is Clc1ncccc1Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.c1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c2cccnc2c1.c1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c2ccncc2c1.c1cnc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2c1.

What is the InChIKey of 2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is HDVRYRBGMHSEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H15N7S.C18H12ClN7S/c1-4-17-15(3-2-9-23-17)18(5-1)26-22-27-19-8-10-30-20(19)21(28-22)25-14-6-7-16-13(11-14)12-24-29-16;1-2-13-10-16(3-5-17(13)23-8-1)26-22-27-19-7-9-30-20(19)21(28-22)25-15-4-6-18-14(11-15)12-24-29-18;1-2-13-11-23-8-6-16(13)18(3-1)26-22-27-19-7-9-30-20(19)21(28-22)25-15-4-5-17-14(10-15)12-24-29-17;19-16-14(2-1-6-20-16)24-18-23-13-5-7-27-15(13)17(25-18)22-11-3-4-12-10(8-11)9-21-26-12/h3*1-12H,(H,24,29)(H2,25,26,27,28);1-9H,(H,21,26)(H2,22,23,24,25).

What are the key properties of 2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine?

2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1622.30 g/mol, XLogP of 21.91, 16 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2-chloro-3-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 158449889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).