7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C69H81BrN18O2S3 — CID 163672024

About 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 163672024) has the molecular formula C69H81BrN18O2S3 and a molecular weight of 1370.64 g/mol. Its IUPAC name is 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 163672024
• Molecular Formula: C69H81BrN18O2S3
• Molecular Weight: 1370.64 g/mol
• Exact Mass: 1368.51
• IUPAC Name: 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.Cc1cccnc1CN.Cc1cccnc1CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.Cc1cccnc1CNc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12
• InChI: InChI=1S/C26H32N6OS.C19H23BrN4OS.C17H16N6S.C7H10N2/c1-17-8-7-11-27-20(17)16-28-18-15-23(31-26(2,3)4)30-19-14-22(34-25(18)19)21-10-12-29-32(21)24-9-5-6-13-33-24;1-19(2,3)23-16-10-12(20)18-13(22-16)11-15(26-18)14-7-8-21-24(14)17-6-4-5-9-25-17;1-10-3-2-5-19-14(10)9-20-12-8-16(18)22-13-7-15(24-17(12)13)11-4-6-21-23-11;1-6-3-2-4-9-7(6)5-8/h7-8,10-12,14-15,24H,5-6,9,13,16H2,1-4H3,(H2,28,30,31);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);2-8H,9H2,1H3,(H,21,23)(H3,18,20,22);2-4H,5,8H2,1H3
• InChIKey: JDJQKXCFEMFXQH-UHFFFAOYSA-N
• XLogP: 16.65
• TPSA: 260.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1370.64
LogP ≤ 5	16.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The IUPAC name of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 163672024) is 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

What is the SMILES notation for 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The canonical SMILES for 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.Cc1cccnc1CN.Cc1cccnc1CNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.Cc1cccnc1CNc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12.

What is the InChIKey of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is JDJQKXCFEMFXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6OS.C19H23BrN4OS.C17H16N6S.C7H10N2/c1-17-8-7-11-27-20(17)16-28-18-15-23(31-26(2,3)4)30-19-14-22(34-25(18)19)21-10-12-29-32(21)24-9-5-6-13-33-24;1-19(2,3)23-16-10-12(20)18-13(22-16)11-15(26-18)14-7-8-21-24(14)17-6-4-5-9-25-17;1-10-3-2-5-19-14(10)9-20-12-8-16(18)22-13-7-15(24-17(12)13)11-4-6-21-23-11;1-6-3-2-4-9-7(6)5-8/h7-8,10-12,14-15,24H,5-6,9,13,16H2,1-4H3,(H2,28,30,31);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);2-8H,9H2,1H3,(H,21,23)(H3,18,20,22);2-4H,5,8H2,1H3.

What are the key properties of 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?

7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 1370.64 g/mol, XLogP of 16.65, 14 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;5-N-tert-butyl-7-N-[(3-methyl-2-pyridinyl)methyl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine;(3-methyl-2-pyridinyl)methanamine;7-N-[(3-methyl-2-pyridinyl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 163672024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).