1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide

C22H15ClN6OS — CID 176859066

About 1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide

1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 176859066) has the molecular formula C22H15ClN6OS and a molecular weight of 446.92 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
• PubChem CID: 176859066
• Molecular Formula: C22H15ClN6OS
• Molecular Weight: 446.92 g/mol
• Exact Mass: 446.07
• IUPAC Name: 1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc3ccncc3n2)cs1)c1cnn(Cc2ccccc2)c1Cl
• InChI: InChI=1S/C22H15ClN6OS/c23-20-16(10-25-29(20)12-14-4-2-1-3-5-14)21(30)28-22-27-19(13-31-22)17-7-6-15-8-9-24-11-18(15)26-17/h1-11,13H,12H2,(H,27,28,30)
• InChIKey: PLBNBUVGUJTIRY-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.92
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?

The IUPAC name of 1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide (CID 176859066) is 1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?

The canonical SMILES for 1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide is O=C(Nc1nc(-c2ccc3ccncc3n2)cs1)c1cnn(Cc2ccccc2)c1Cl.

What is the InChIKey of 1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?

The InChIKey is PLBNBUVGUJTIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN6OS/c23-20-16(10-25-29(20)12-14-4-2-1-3-5-14)21(30)28-22-27-19(13-31-22)17-7-6-15-8-9-24-11-18(15)26-17/h1-11,13H,12H2,(H,27,28,30).

What are the key properties of 1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?

1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 446.92 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-chloro-N-[4-(1,7-naphthyridin-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 176859066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).