5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide

C20H15ClFN5O2 — CID 166161854

IUPAC5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide
SMILESCOc1cc(F)cc(-c2ncc(Cn3ncc4cc(Cl)cc(C(N)=O)c43)cn2)c1
InChIInChI=1S/C20H15ClFN5O2/c1-29-16-4-12(3-15(22)6-16)20-24-7-11(8-25-20)10-27-18-13(9-26-27)2-14(21)5-17(18)19(23)28/h2-9H,10H2,1H3,(H2,23,28)
InChIKeySYANLFRVWPAPLW-UHFFFAOYSA-N
MW411.82 g/mol
LogP3.44
Rot. Bonds5

About 5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide

5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide (PubChem CID 166161854) has the molecular formula C20H15ClFN5O2 and a molecular weight of 411.82 g/mol. Its IUPAC name is 5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide
PubChem CID166161854
Molecular FormulaC20H15ClFN5O2
Molecular Weight411.82 g/mol
Exact Mass411.09
IUPAC Name5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide
SMILESCOc1cc(F)cc(-c2ncc(Cn3ncc4cc(Cl)cc(C(N)=O)c43)cn2)c1
InChIInChI=1S/C20H15ClFN5O2/c1-29-16-4-12(3-15(22)6-16)20-24-7-11(8-25-20)10-27-18-13(9-26-27)2-14(21)5-17(18)19(23)28/h2-9H,10H2,1H3,(H2,23,28)
InChIKeySYANLFRVWPAPLW-UHFFFAOYSA-N
XLogP3.44
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-chloro-1-[[2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxylate
CID 166161814
5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
CID 175810046
5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid
CID 166161853
2-[4-[[5-chloro-1-[[6-(3-fluoro-5-methoxyphenyl)pyridazin-3-yl]methyl]indazole-7-carbonyl]amino]cyclohexyl]acetic acid
CID 167254463
5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
CID 175810220
2-[4-[[5-chloro-1-[1-[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]ethyl]indazole-7-carbonyl]amino]cyclohexyl]acetic acid
CID 167254478
methyl 5-chloro-1-[(5-cyclopropyl-2-pyridinyl)methyl]indazole-7-carboxylate
CID 166161801
5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid
CID 166161768
1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide
CID 170309451
2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 141389743
5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole
CID 175809954
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide?
The IUPAC name of 5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide (CID 166161854) is 5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide.
What is the SMILES notation for 5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide?
The canonical SMILES for 5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide is COc1cc(F)cc(-c2ncc(Cn3ncc4cc(Cl)cc(C(N)=O)c43)cn2)c1.
What is the InChIKey of 5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide?
The InChIKey is SYANLFRVWPAPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O2/c1-29-16-4-12(3-15(22)6-16)20-24-7-11(8-25-20)10-27-18-13(9-26-27)2-14(21)5-17(18)19(23)28/h2-9H,10H2,1H3,(H2,23,28).
What are the key properties of 5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide?
5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide has a molecular weight of 411.82 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide is sourced from PubChem (CID 166161854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).