5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide

C35H33Cl2N5O3S — CID 126617383

IUPAC5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCC(c3c4cc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)ccc4nn3C3CC3)CC2)cn1
InChIInChI=1S/C35H33Cl2N5O3S/c1-38-35(43)32-15-13-29(21-39-32)46(44,45)41-18-16-24(17-19-41)34-30-20-25(6-14-31(30)40-42(34)28-11-12-28)33(22-2-7-26(36)8-3-22)23-4-9-27(37)10-5-23/h2-10,13-15,20-21,24,28,33H,11-12,16-19H2,1H3,(H,38,43)
InChIKeyFWHJAVWZHBHULC-UHFFFAOYSA-N
MW674.65 g/mol
LogP7.18
Rot. Bonds8

About 5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide

5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide (PubChem CID 126617383) has the molecular formula C35H33Cl2N5O3S and a molecular weight of 674.65 g/mol. Its IUPAC name is 5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide
PubChem CID126617383
Molecular FormulaC35H33Cl2N5O3S
Molecular Weight674.65 g/mol
Exact Mass673.17
IUPAC Name5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCC(c3c4cc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)ccc4nn3C3CC3)CC2)cn1
InChIInChI=1S/C35H33Cl2N5O3S/c1-38-35(43)32-15-13-29(21-39-32)46(44,45)41-18-16-24(17-19-41)34-30-20-25(6-14-31(30)40-42(34)28-11-12-28)33(22-2-7-26(36)8-3-22)23-4-9-27(37)10-5-23/h2-10,13-15,20-21,24,28,33H,11-12,16-19H2,1H3,(H,38,43)
InChIKeyFWHJAVWZHBHULC-UHFFFAOYSA-N
XLogP7.18
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.65
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide (CID 126617383) is 5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3c4cc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)ccc4nn3C3CC3)CC2)cn1.
What is the InChIKey of 5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide?
The InChIKey is FWHJAVWZHBHULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33Cl2N5O3S/c1-38-35(43)32-15-13-29(21-39-32)46(44,45)41-18-16-24(17-19-41)34-30-20-25(6-14-31(30)40-42(34)28-11-12-28)33(22-2-7-26(36)8-3-22)23-4-9-27(37)10-5-23/h2-10,13-15,20-21,24,28,33H,11-12,16-19H2,1H3,(H,38,43).
What are the key properties of 5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide?
5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide has a molecular weight of 674.65 g/mol, XLogP of 7.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 126617383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).