3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide

C24H28N6OS — CID 137480394

About 3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137480394) has the molecular formula C24H28N6OS and a molecular weight of 448.60 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 137480394
• Molecular Formula: C24H28N6OS
• Molecular Weight: 448.60 g/mol
• Exact Mass: 448.20
• IUPAC Name: 3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)N[C@@H]3Cc4ccc(N5CCNCC5)nc4C4(CC4)C3)sc2n1
• InChI: InChI=1S/C24H28N6OS/c1-14-2-4-17-19(25)20(32-23(17)27-14)22(31)28-16-12-15-3-5-18(30-10-8-26-9-11-30)29-21(15)24(13-16)6-7-24/h2-5,16,26H,6-13,25H2,1H3,(H,28,31)/t16-/m1/s1
• InChIKey: LTFQYEHTIIIOQL-MRXNPFEDSA-N
• XLogP: 2.77
• TPSA: 96.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.60
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 137480394) is 3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@@H]3Cc4ccc(N5CCNCC5)nc4C4(CC4)C3)sc2n1.

What is the InChIKey of 3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is LTFQYEHTIIIOQL-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H28N6OS/c1-14-2-4-17-19(25)20(32-23(17)27-14)22(31)28-16-12-15-3-5-18(30-10-8-26-9-11-30)29-21(15)24(13-16)6-7-24/h2-5,16,26H,6-13,25H2,1H3,(H,28,31)/t16-/m1/s1.

What are the key properties of 3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide?

3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 448.60 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137480394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).