7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide

C33H26Cl3F3N4O2 — CID 169264691

IUPAC7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide
SMILESCC(C)(O)c1cc([C@@H](CNC(=O)c2cc(Cl)c3nn(C4CC4)cc3c2)c2cccc(F)c2)nc(-c2ccc(F)c(Cl)c2Cl)c1F
InChIInChI=1S/C33H26Cl3F3N4O2/c1-33(2,45)23-13-26(41-31(29(23)39)21-8-9-25(38)28(36)27(21)35)22(16-4-3-5-19(37)11-16)14-40-32(44)17-10-18-15-43(20-6-7-20)42-30(18)24(34)12-17/h3-5,8-13,15,20,22,45H,6-7,14H2,1-2H3,(H,40,44)/t22-/m0/s1
InChIKeyUPEQMSDCMHCJLX-QFIPXVFZSA-N
MW673.95 g/mol
LogP8.60
Rot. Bonds8

About 7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide

7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide (PubChem CID 169264691) has the molecular formula C33H26Cl3F3N4O2 and a molecular weight of 673.95 g/mol. Its IUPAC name is 7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide
PubChem CID169264691
Molecular FormulaC33H26Cl3F3N4O2
Molecular Weight673.95 g/mol
Exact Mass672.11
IUPAC Name7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide
SMILESCC(C)(O)c1cc([C@@H](CNC(=O)c2cc(Cl)c3nn(C4CC4)cc3c2)c2cccc(F)c2)nc(-c2ccc(F)c(Cl)c2Cl)c1F
InChIInChI=1S/C33H26Cl3F3N4O2/c1-33(2,45)23-13-26(41-31(29(23)39)21-8-9-25(38)28(36)27(21)35)22(16-4-3-5-19(37)11-16)14-40-32(44)17-10-18-15-43(20-6-7-20)42-30(18)24(34)12-17/h3-5,8-13,15,20,22,45H,6-7,14H2,1-2H3,(H,40,44)/t22-/m0/s1
InChIKeyUPEQMSDCMHCJLX-QFIPXVFZSA-N
XLogP8.60
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.95
LogP ≤ 58.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide?
The IUPAC name of 7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide (CID 169264691) is 7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide.
What is the SMILES notation for 7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide?
The canonical SMILES for 7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide is CC(C)(O)c1cc([C@@H](CNC(=O)c2cc(Cl)c3nn(C4CC4)cc3c2)c2cccc(F)c2)nc(-c2ccc(F)c(Cl)c2Cl)c1F.
What is the InChIKey of 7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide?
The InChIKey is UPEQMSDCMHCJLX-QFIPXVFZSA-N. The full InChI is InChI=1S/C33H26Cl3F3N4O2/c1-33(2,45)23-13-26(41-31(29(23)39)21-8-9-25(38)28(36)27(21)35)22(16-4-3-5-19(37)11-16)14-40-32(44)17-10-18-15-43(20-6-7-20)42-30(18)24(34)12-17/h3-5,8-13,15,20,22,45H,6-7,14H2,1-2H3,(H,40,44)/t22-/m0/s1.
What are the key properties of 7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide?
7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide has a molecular weight of 673.95 g/mol, XLogP of 8.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-(3-fluorophenyl)ethyl]indazole-5-carboxamide is sourced from PubChem (CID 169264691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).