N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide

C34H30Cl2F2N4O3 — CID 169264639

IUPACN-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide
SMILESCOc1cc(C(=O)NCC(c2ccccc2)c2cc(C(C)(C)O)c(Cl)c(-c3cc(Cl)c(F)cc3F)n2)cc2cn(C3CC3)nc12
InChIInChI=1S/C34H30Cl2F2N4O3/c1-34(2,44)24-14-28(40-32(30(24)36)22-13-25(35)27(38)15-26(22)37)23(18-7-5-4-6-8-18)16-39-33(43)19-11-20-17-42(21-9-10-21)41-31(20)29(12-19)45-3/h4-8,11-15,17,21,23,44H,9-10,16H2,1-3H3,(H,39,43)
InChIKeyJPGIQFCAHNIMBG-UHFFFAOYSA-N
MW651.54 g/mol
LogP7.82
Rot. Bonds9

About N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide

N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide (PubChem CID 169264639) has the molecular formula C34H30Cl2F2N4O3 and a molecular weight of 651.54 g/mol. Its IUPAC name is N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide
PubChem CID169264639
Molecular FormulaC34H30Cl2F2N4O3
Molecular Weight651.54 g/mol
Exact Mass650.17
IUPAC NameN-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide
SMILESCOc1cc(C(=O)NCC(c2ccccc2)c2cc(C(C)(C)O)c(Cl)c(-c3cc(Cl)c(F)cc3F)n2)cc2cn(C3CC3)nc12
InChIInChI=1S/C34H30Cl2F2N4O3/c1-34(2,44)24-14-28(40-32(30(24)36)22-13-25(35)27(38)15-26(22)37)23(18-7-5-4-6-8-18)16-39-33(43)19-11-20-17-42(21-9-10-21)41-31(20)29(12-19)45-3/h4-8,11-15,17,21,23,44H,9-10,16H2,1-3H3,(H,39,43)
InChIKeyJPGIQFCAHNIMBG-UHFFFAOYSA-N
XLogP7.82
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.54
LogP ≤ 57.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide?
The IUPAC name of N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide (CID 169264639) is N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide.
What is the SMILES notation for N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide?
The canonical SMILES for N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide is COc1cc(C(=O)NCC(c2ccccc2)c2cc(C(C)(C)O)c(Cl)c(-c3cc(Cl)c(F)cc3F)n2)cc2cn(C3CC3)nc12.
What is the InChIKey of N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide?
The InChIKey is JPGIQFCAHNIMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30Cl2F2N4O3/c1-34(2,44)24-14-28(40-32(30(24)36)22-13-25(35)27(38)15-26(22)37)23(18-7-5-4-6-8-18)16-39-33(43)19-11-20-17-42(21-9-10-21)41-31(20)29(12-19)45-3/h4-8,11-15,17,21,23,44H,9-10,16H2,1-3H3,(H,39,43).
What are the key properties of N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide?
N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide has a molecular weight of 651.54 g/mol, XLogP of 7.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-chloro-6-(5-chloro-2,4-difluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide is sourced from PubChem (CID 169264639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).