N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H28N8O2S2 — CID 90275601

About N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90275601) has the molecular formula C27H28N8O2S2 and a molecular weight of 560.71 g/mol. Its IUPAC name is N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 90275601
• Molecular Formula: C27H28N8O2S2
• Molecular Weight: 560.71 g/mol
• Exact Mass: 560.18
• IUPAC Name: N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(-n2nc(C3CCN(S(=O)c4sc(C)nc4C)CC3)cc2NC(=O)c2cnn3cccnc23)cc1
• InChI: InChI=1S/C27H28N8O2S2/c1-17-5-7-21(8-6-17)35-24(31-26(36)22-16-29-34-12-4-11-28-25(22)34)15-23(32-35)20-9-13-33(14-10-20)39(37)27-18(2)30-19(3)38-27/h4-8,11-12,15-16,20H,9-10,13-14H2,1-3H3,(H,31,36)
• InChIKey: GMIPLJDIISJCTB-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 110.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.71
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90275601) is N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CCN(S(=O)c4sc(C)nc4C)CC3)cc2NC(=O)c2cnn3cccnc23)cc1.

What is the InChIKey of N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GMIPLJDIISJCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O2S2/c1-17-5-7-21(8-6-17)35-24(31-26(36)22-16-29-34-12-4-11-28-25(22)34)15-23(32-35)20-9-13-33(14-10-20)39(37)27-18(2)30-19(3)38-27/h4-8,11-12,15-16,20H,9-10,13-14H2,1-3H3,(H,31,36).

What are the key properties of N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 560.71 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90275601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).