2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C42H51N17S2 — CID 137101547

About 2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 137101547) has the molecular formula C42H51N17S2 and a molecular weight of 858.12 g/mol. Its IUPAC name is 2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: 2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
• PubChem CID: 137101547
• Molecular Formula: C42H51N17S2
• Molecular Weight: 858.12 g/mol
• Exact Mass: 857.40
• IUPAC Name: 2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
• SMILES: Cc1cn2c(-c3cc[nH]c3)cnc2c(Nc2cnc(CN3CCC4(CCCNC4)C3)s2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCN(C)CC3)ns2)n1
• InChI: InChI=1S/C23H28N8S.C19H23N9S/c1-16-12-31-18(17-3-7-24-9-17)10-27-22(31)21(28-16)29-19-11-26-20(32-19)13-30-8-5-23(15-30)4-2-6-25-14-23;1-13-11-28-16(14-8-21-22-9-14)10-20-19(28)18(23-13)24-17-7-15(25-29-17)12-27-5-3-26(2)4-6-27/h3,7,9-12,24-25H,2,4-6,8,13-15H2,1H3,(H,28,29);7-11H,3-6,12H2,1-2H3,(H,21,22)(H,23,24)
• InChIKey: KTKSYKMBOBXQIC-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 176.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	858.12
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The IUPAC name of 2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 137101547) is 2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

What is the SMILES notation for 2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The canonical SMILES for 2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cn2c(-c3cc[nH]c3)cnc2c(Nc2cnc(CN3CCC4(CCCNC4)C3)s2)n1.Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCN(C)CC3)ns2)n1.

What is the InChIKey of 2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

The InChIKey is KTKSYKMBOBXQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8S.C19H23N9S/c1-16-12-31-18(17-3-7-24-9-17)10-27-22(31)21(28-16)29-19-11-26-20(32-19)13-30-8-5-23(15-30)4-2-6-25-14-23;1-13-11-28-16(14-8-21-22-9-14)10-20-19(28)18(23-13)24-17-7-15(25-29-17)12-27-5-3-26(2)4-6-27/h3,7,9-12,24-25H,2,4-6,8,13-15H2,1H3,(H,28,29);7-11H,3-6,12H2,1-2H3,(H,21,22)(H,23,24).

What are the key properties of 2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?

2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 858.12 g/mol, XLogP of 6.18, 10 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,9-diazaspiro[4.5]decan-2-ylmethyl)-N-[6-methyl-3-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-5-amine;3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 137101547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).