N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide

C23H19ClFN5O2S — CID 56676611

About N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide

N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide (PubChem CID 56676611) has the molecular formula C23H19ClFN5O2S and a molecular weight of 483.96 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 56676611
• Molecular Formula: C23H19ClFN5O2S
• Molecular Weight: 483.96 g/mol
• Exact Mass: 483.09
• IUPAC Name: N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide
• SMILES: C[C@@H](NC(=O)C1(NC(=O)c2cncs2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F
• InChI: InChI=1S/C23H19ClFN5O2S/c1-13(27-22(32)23(8-9-23)28-21(31)19-11-26-12-33-19)15-7-6-14(10-17(15)25)30-18-5-3-2-4-16(18)20(24)29-30/h2-7,10-13H,8-9H2,1H3,(H,27,32)(H,28,31)/t13-/m1/s1
• InChIKey: RZKNYHUPJRUAJI-CYBMUJFWSA-N
• XLogP: 4.41
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.96
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide (CID 56676611) is N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide is C[C@@H](NC(=O)C1(NC(=O)c2cncs2)CC1)c1ccc(-n2nc(Cl)c3ccccc32)cc1F.

What is the InChIKey of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide?

The InChIKey is RZKNYHUPJRUAJI-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H19ClFN5O2S/c1-13(27-22(32)23(8-9-23)28-21(31)19-11-26-12-33-19)15-7-6-14(10-17(15)25)30-18-5-3-2-4-16(18)20(24)29-30/h2-7,10-13H,8-9H2,1H3,(H,27,32)(H,28,31)/t13-/m1/s1.

What are the key properties of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide?

N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide has a molecular weight of 483.96 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56676611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).