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

C19H14ClFN4O — CID 175810046

IUPAC5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
SMILES[2H]c1cc(Cl)cc2cnn(Cc3cnc(-c4cc(F)cc(OC)c4)nc3)c12
InChIInChI=1S/C19H14ClFN4O/c1-26-17-6-13(5-16(21)7-17)19-22-8-12(9-23-19)11-25-18-3-2-15(20)4-14(18)10-24-25/h2-10H,11H2,1H3/i3D
InChIKeyPFYCZSQRQWSUAG-WFVSFCRTSA-N
MW369.81 g/mol
LogP4.34
Rot. Bonds4

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

5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole (PubChem CID 175810046) has the molecular formula C19H14ClFN4O and a molecular weight of 369.81 g/mol. Its IUPAC name is 5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole.

Molecular Properties

Compound Name5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
PubChem CID175810046
Molecular FormulaC19H14ClFN4O
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
SMILES[2H]c1cc(Cl)cc2cnn(Cc3cnc(-c4cc(F)cc(OC)c4)nc3)c12
InChIInChI=1S/C19H14ClFN4O/c1-26-17-6-13(5-16(21)7-17)19-22-8-12(9-23-19)11-25-18-3-2-15(20)4-14(18)10-24-25/h2-10H,11H2,1H3/i3D
InChIKeyPFYCZSQRQWSUAG-WFVSFCRTSA-N
XLogP4.34
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
CID 175810220
5-chloro-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxamide
CID 166161854
5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole
CID 175809986
5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole
CID 175809954
5-chloro-1-[(4-chlorophenyl)methyl]indazole
CID 59148107
methyl 5-chloro-1-[[2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-yl]methyl]indazole-7-carboxylate
CID 166161814
1-[(3-chlorophenyl)methyl]-6-fluoroindazole
CID 141202076
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
CID 62756442
1-benzyl-5,6-dimethoxyindazole
CID 83414174
5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole
CID 46935408
5-methoxy-1-[(3-nitrophenyl)methyl]indazole
CID 15429052

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole?
The IUPAC name of 5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole (CID 175810046) is 5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole.
What is the SMILES notation for 5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole?
The canonical SMILES for 5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole is [2H]c1cc(Cl)cc2cnn(Cc3cnc(-c4cc(F)cc(OC)c4)nc3)c12.
What is the InChIKey of 5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole?
The InChIKey is PFYCZSQRQWSUAG-WFVSFCRTSA-N. The full InChI is InChI=1S/C19H14ClFN4O/c1-26-17-6-13(5-16(21)7-17)19-22-8-12(9-23-19)11-25-18-3-2-15(20)4-14(18)10-24-25/h2-10H,11H2,1H3/i3D.
What are the key properties of 5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole?
5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole has a molecular weight of 369.81 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-deuterio-1-[[2-(3-fluoro-5-methoxyphenyl)pyrimidin-5-yl]methyl]indazole is sourced from PubChem (CID 175810046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).