[1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol

C21H17ClFN3O2 — CID 118967097

IUPAC[1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol
SMILESCOc1ccc2c(c1)c(-c1cnc(F)nc1)c(CO)n2Cc1ccccc1Cl
InChIInChI=1S/C21H17ClFN3O2/c1-28-15-6-7-18-16(8-15)20(14-9-24-21(23)25-10-14)19(12-27)26(18)11-13-4-2-3-5-17(13)22/h2-10,27H,11-12H2,1H3
InChIKeyPOCUZYBDMNQNPC-UHFFFAOYSA-N
MW397.84 g/mol
LogP4.44
Rot. Bonds5

About [1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol

[1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol (PubChem CID 118967097) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol
PubChem CID118967097
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC Name[1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol
SMILESCOc1ccc2c(c1)c(-c1cnc(F)nc1)c(CO)n2Cc1ccccc1Cl
InChIInChI=1S/C21H17ClFN3O2/c1-28-15-6-7-18-16(8-15)20(14-9-24-21(23)25-10-14)19(12-27)26(18)11-13-4-2-3-5-17(13)22/h2-10,27H,11-12H2,1H3
InChIKeyPOCUZYBDMNQNPC-UHFFFAOYSA-N
XLogP4.44
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol
CID 161335033
[1-[(2-chlorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967091
[1-[(2-chlorophenyl)methyl]-3-(2-methylsulfanylpyrimidin-5-yl)-6-propan-2-yloxyindol-2-yl]methanol
CID 118967144
[1-[(2-chlorophenyl)methyl]-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol
CID 140928472
[1-[(3-methoxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-methylindol-2-yl]methanol
CID 118967126
2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
CID 10832199
[1-[(2-chlorophenyl)methyl]-3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5-(trifluoromethyl)indol-2-yl]methanol
CID 118971362
[1-benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 159542441
1-[(4-cyano-2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-(6-methoxy-3-pyridinyl)indole-5-carbonitrile
CID 118967146
[1-benzyl-3-(6-methoxy-3-pyridinyl)-6-propan-2-yloxyindol-2-yl]methanol
CID 118967156
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67245188
[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267981

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol (CID 118967097) is [1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol is COc1ccc2c(c1)c(-c1cnc(F)nc1)c(CO)n2Cc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol?
The InChIKey is POCUZYBDMNQNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c1-28-15-6-7-18-16(8-15)20(14-9-24-21(23)25-10-14)19(12-27)26(18)11-13-4-2-3-5-17(13)22/h2-10,27H,11-12H2,1H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol?
[1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol has a molecular weight of 397.84 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol is sourced from PubChem (CID 118967097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).