4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine

C21H19FN4O — CID 149272344

IUPAC4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine
SMILESCOc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)cc1
InChIInChI=1S/C21H19FN4O/c1-13-11-16-17(24-13)7-8-18(21(16)22)25-19-9-10-23-20(26-19)12-14-3-5-15(27-2)6-4-14/h3-11,24H,12H2,1-2H3,(H,23,25,26)
InChIKeyXRIAEKXCGPZBIE-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.75
Rot. Bonds5

About 4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine

4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine (PubChem CID 149272344) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine.

Molecular Properties

Compound Name4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine
PubChem CID149272344
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine
SMILESCOc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)cc1
InChIInChI=1S/C21H19FN4O/c1-13-11-16-17(24-13)7-8-18(21(16)22)25-19-9-10-23-20(26-19)12-14-3-5-15(27-2)6-4-14/h3-11,24H,12H2,1-2H3,(H,23,25,26)
InChIKeyXRIAEKXCGPZBIE-UHFFFAOYSA-N
XLogP4.75
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine with MolForge

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Related Compounds

Evp4593
CID 509554
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Meriolin 3
CID 23727981
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Rwj-68354
CID 9819053
2-(4-methoxyphenyl)-6-phenyl-9H-purine
CID 11536774

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine?
The IUPAC name of 4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine (CID 149272344) is 4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine.
What is the SMILES notation for 4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine?
The canonical SMILES for 4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine is COc1ccc(Cc2nccc(Nc3ccc4[nH]c(C)cc4c3F)n2)cc1.
What is the InChIKey of 4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine?
The InChIKey is XRIAEKXCGPZBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-13-11-16-17(24-13)7-8-18(21(16)22)25-19-9-10-23-20(26-19)12-14-3-5-15(27-2)6-4-14/h3-11,24H,12H2,1-2H3,(H,23,25,26).
What are the key properties of 4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine?
4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine has a molecular weight of 362.41 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine is sourced from PubChem (CID 149272344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).