4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone

C65H74Cl3F6N11O7S — CID 158316192

About 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone (PubChem CID 158316192) has the molecular formula C65H74Cl3F6N11O7S and a molecular weight of 1373.79 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone.

Molecular Properties

• Compound Name: 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone
• PubChem CID: 158316192
• Molecular Formula: C65H74Cl3F6N11O7S
• Molecular Weight: 1373.79 g/mol
• Exact Mass: 1371.45
• IUPAC Name: 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone
• SMILES: C#Cc1ccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.C=S1(=O)CCC(CC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.O=C(NCC1CCC1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/C23H21ClF2N4O2.C22H28ClF2N3O3S.C20H25ClF2N4O2/c1-2-14-3-5-18(6-4-14)28-22(32)30-9-7-16(8-10-30)23(25,26)21(31)19-12-17(24)11-15-13-27-29-20(15)19;1-32(31)8-4-14(5-9-32)10-19(29)28-6-2-16(3-7-28)22(24,25)21(30)18-12-17(23)11-15-13-26-27-20(15)18;21-15-8-13-11-25-26-17(13)16(9-15)18(28)20(22,23)14-4-6-27(7-5-14)19(29)24-10-12-2-1-3-12/h1,3-6,11-13,16,21,31H,7-10H2,(H,27,29)(H,28,32);11-14,16,21,30H,1-10H2,(H,26,27);8-9,11-12,14,18,28H,1-7,10H2,(H,24,29)(H,25,26)
• InChIKey: GOHFHLOTFIYGOG-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 248.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1373.79
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone?

The IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone (CID 158316192) is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone.

What is the SMILES notation for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone?

The canonical SMILES for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone is C#Cc1ccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.C=S1(=O)CCC(CC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.O=C(NCC1CCC1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.

What is the InChIKey of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone?

The InChIKey is GOHFHLOTFIYGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N4O2.C22H28ClF2N3O3S.C20H25ClF2N4O2/c1-2-14-3-5-18(6-4-14)28-22(32)30-9-7-16(8-10-30)23(25,26)21(31)19-12-17(24)11-15-13-27-29-20(15)19;1-32(31)8-4-14(5-9-32)10-19(29)28-6-2-16(3-7-28)22(24,25)21(30)18-12-17(23)11-15-13-26-27-20(15)18;21-15-8-13-11-25-26-17(13)16(9-15)18(28)20(22,23)14-4-6-27(7-5-14)19(29)24-10-12-2-1-3-12/h1,3-6,11-13,16,21,31H,7-10H2,(H,27,29)(H,28,32);11-14,16,21,30H,1-10H2,(H,26,27);8-9,11-12,14,18,28H,1-7,10H2,(H,24,29)(H,25,26).

What are the key properties of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone?

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone has a molecular weight of 1373.79 g/mol, XLogP of 12.56, 14 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(cyclobutylmethyl)piperidine-1-carboxamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(1-methylidene-1-oxothian-4-yl)ethanone is sourced from PubChem (CID 158316192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).