trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide

C22H19F2N5OS — CID 67425408

About trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 67425408) has the molecular formula C22H19F2N5OS and a molecular weight of 439.49 g/mol. Its IUPAC name is trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
• PubChem CID: 67425408
• Molecular Formula: C22H19F2N5OS
• Molecular Weight: 439.49 g/mol
• Exact Mass: 439.13
• IUPAC Name: trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
• SMILES: C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(C(F)F)n1
• InChI: InChI=1S/C22H19F2N5OS/c1-11-8-14(11)21(30)26-22-18(16-4-3-5-17(25-16)20(23)24)19(28-31-22)12-6-7-15-13(9-12)10-29(2)27-15/h3-7,9-11,14,20H,8H2,1-2H3,(H,26,30)/t11-,14-/m1/s1
• InChIKey: LKDNBDVNZXUBSU-BXUZGUMPSA-N
• XLogP: 5.29
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.49
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide (CID 67425408) is trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(C(F)F)n1.

What is the InChIKey of trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?

The InChIKey is LKDNBDVNZXUBSU-BXUZGUMPSA-N. The full InChI is InChI=1S/C22H19F2N5OS/c1-11-8-14(11)21(30)26-22-18(16-4-3-5-17(25-16)20(23)24)19(28-31-22)12-6-7-15-13(9-12)10-29(2)27-15/h3-7,9-11,14,20H,8H2,1-2H3,(H,26,30)/t11-,14-/m1/s1.

What are the key properties of trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?

trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-N-[4-[6-(difluoromethyl)-2-pyridinyl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 67425408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).