1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide

C27H29ClF2N6O3S — CID 11376784

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide (PubChem CID 11376784) has the molecular formula C27H29ClF2N6O3S and a molecular weight of 591.08 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide
• PubChem CID: 11376784
• Molecular Formula: C27H29ClF2N6O3S
• Molecular Weight: 591.08 g/mol
• Exact Mass: 590.17
• IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide
• SMILES: CC(C)N1CCC(NC(=O)c2nn(Cc3cc(-c4ccc(Cl)s4)on3)c3ccc(C(=O)NCC(F)F)cc23)CC1
• InChI: InChI=1S/C27H29ClF2N6O3S/c1-15(2)35-9-7-17(8-10-35)32-27(38)25-19-11-16(26(37)31-13-24(29)30)3-4-20(19)36(33-25)14-18-12-21(39-34-18)22-5-6-23(28)40-22/h3-6,11-12,15,17,24H,7-10,13-14H2,1-2H3,(H,31,37)(H,32,38)
• InChIKey: NBKCWTAISBWVMO-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 105.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.08
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide?

The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide (CID 11376784) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide.

What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide?

The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide is CC(C)N1CCC(NC(=O)c2nn(Cc3cc(-c4ccc(Cl)s4)on3)c3ccc(C(=O)NCC(F)F)cc23)CC1.

What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide?

The InChIKey is NBKCWTAISBWVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClF2N6O3S/c1-15(2)35-9-7-17(8-10-35)32-27(38)25-19-11-16(26(37)31-13-24(29)30)3-4-20(19)36(33-25)14-18-12-21(39-34-18)22-5-6-23(28)40-22/h3-6,11-12,15,17,24H,7-10,13-14H2,1-2H3,(H,31,37)(H,32,38).

What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide?

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide has a molecular weight of 591.08 g/mol, XLogP of 5.05, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(2,2-difluoroethyl)-3-N-(1-propan-2-ylpiperidin-4-yl)indazole-3,5-dicarboxamide is sourced from PubChem (CID 11376784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).