1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one

C21H19N5O — CID 153235210

IUPAC1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one
SMILESCCC(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(C)c2[nH]1
InChIInChI=1S/C21H19N5O/c1-3-19(27)18-12-14-11-15(10-13(2)20(14)25-18)24-21-23-9-7-17(26-21)16-6-4-5-8-22-16/h4-12,25H,3H2,1-2H3,(H,23,24,26)
InChIKeyWQIRNSXITXTXJY-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.66
Rot. Bonds5

About 1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one

1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one (PubChem CID 153235210) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one
PubChem CID153235210
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one
SMILESCCC(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(C)c2[nH]1
InChIInChI=1S/C21H19N5O/c1-3-19(27)18-12-14-11-15(10-13(2)20(14)25-18)24-21-23-9-7-17(26-21)16-6-4-5-8-22-16/h4-12,25H,3H2,1-2H3,(H,23,24,26)
InChIKeyWQIRNSXITXTXJY-UHFFFAOYSA-N
XLogP4.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one with MolForge

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Related Compounds

N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 71233732
5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide
CID 71233770
7-bromo-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;ethylboronic acid;7-ethyl-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 157370546
[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 71233748
[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(diazinan-1-yl)methanone
CID 71233785
1-[7-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-[[4-(3-methyl-3H-pyrrol-5-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]propan-1-one
CID 163556098
7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide
CID 148886269
[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(methylamino)methanol
CID 123249748
2-(oxepan-4-yl)-1-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]ethanone
CID 123975489
[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 71233665
2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 11674510
[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 71233669

Frequently Asked Questions

What is the IUPAC name of 1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one?
The IUPAC name of 1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one (CID 153235210) is 1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one.
What is the SMILES notation for 1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one?
The canonical SMILES for 1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one is CCC(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(C)c2[nH]1.
What is the InChIKey of 1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one?
The InChIKey is WQIRNSXITXTXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-3-19(27)18-12-14-11-15(10-13(2)20(14)25-18)24-21-23-9-7-17(26-21)16-6-4-5-8-22-16/h4-12,25H,3H2,1-2H3,(H,23,24,26).
What are the key properties of 1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one?
1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one has a molecular weight of 357.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one is sourced from PubChem (CID 153235210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).