7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide

C33H27Cl3F2N4O3 — CID 169264909

IUPAC7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide
SMILESCC(C)(O)c1cc([C@@](O)(CNC(=O)c2cc(Cl)c3nn(C4CC4)cc3c2)c2cccc(F)c2)nc(-c2cccc(Cl)c2Cl)c1F
InChIInChI=1S/C33H27Cl3F2N4O3/c1-32(2,44)23-14-26(40-30(28(23)38)22-7-4-8-24(34)27(22)36)33(45,19-5-3-6-20(37)13-19)16-39-31(43)17-11-18-15-42(21-9-10-21)41-29(18)25(35)12-17/h3-8,11-15,21,44-45H,9-10,16H2,1-2H3,(H,39,43)/t33-/m1/s1
InChIKeyLJINTOYOSHMTLX-MGBGTMOVSA-N
MW671.96 g/mol
LogP7.56
Rot. Bonds8

About 7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide

7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide (PubChem CID 169264909) has the molecular formula C33H27Cl3F2N4O3 and a molecular weight of 671.96 g/mol. Its IUPAC name is 7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide
PubChem CID169264909
Molecular FormulaC33H27Cl3F2N4O3
Molecular Weight671.96 g/mol
Exact Mass670.11
IUPAC Name7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide
SMILESCC(C)(O)c1cc([C@@](O)(CNC(=O)c2cc(Cl)c3nn(C4CC4)cc3c2)c2cccc(F)c2)nc(-c2cccc(Cl)c2Cl)c1F
InChIInChI=1S/C33H27Cl3F2N4O3/c1-32(2,44)23-14-26(40-30(28(23)38)22-7-4-8-24(34)27(22)36)33(45,19-5-3-6-20(37)13-19)16-39-31(43)17-11-18-15-42(21-9-10-21)41-29(18)25(35)12-17/h3-8,11-15,21,44-45H,9-10,16H2,1-2H3,(H,39,43)/t33-/m1/s1
InChIKeyLJINTOYOSHMTLX-MGBGTMOVSA-N
XLogP7.56
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.96
LogP ≤ 57.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide?
The IUPAC name of 7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide (CID 169264909) is 7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide.
What is the SMILES notation for 7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide?
The canonical SMILES for 7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide is CC(C)(O)c1cc([C@@](O)(CNC(=O)c2cc(Cl)c3nn(C4CC4)cc3c2)c2cccc(F)c2)nc(-c2cccc(Cl)c2Cl)c1F.
What is the InChIKey of 7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide?
The InChIKey is LJINTOYOSHMTLX-MGBGTMOVSA-N. The full InChI is InChI=1S/C33H27Cl3F2N4O3/c1-32(2,44)23-14-26(40-30(28(23)38)22-7-4-8-24(34)27(22)36)33(45,19-5-3-6-20(37)13-19)16-39-31(43)17-11-18-15-42(21-9-10-21)41-29(18)25(35)12-17/h3-8,11-15,21,44-45H,9-10,16H2,1-2H3,(H,39,43)/t33-/m1/s1.
What are the key properties of 7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide?
7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide has a molecular weight of 671.96 g/mol, XLogP of 7.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclopropyl-N-[(2S)-2-[6-(2,3-dichlorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]indazole-5-carboxamide is sourced from PubChem (CID 169264909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).