(6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone

C20H20ClFN4O — CID 87604253

IUPAC(6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone
SMILESO=C(c1cc(Cl)ncn1)c1cn(CCCN2CCCC2)c2cc(F)ccc12
InChIInChI=1S/C20H20ClFN4O/c21-19-11-17(23-13-24-19)20(27)16-12-26(9-3-8-25-6-1-2-7-25)18-10-14(22)4-5-15(16)18/h4-5,10-13H,1-3,6-9H2
InChIKeyRZBPBQYAUJXTNV-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.94
Rot. Bonds6

About (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone

(6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone (PubChem CID 87604253) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone
PubChem CID87604253
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC Name(6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone
SMILESO=C(c1cc(Cl)ncn1)c1cn(CCCN2CCCC2)c2cc(F)ccc12
InChIInChI=1S/C20H20ClFN4O/c21-19-11-17(23-13-24-19)20(27)16-12-26(9-3-8-25-6-1-2-7-25)18-10-14(22)4-5-15(16)18/h4-5,10-13H,1-3,6-9H2
InChIKeyRZBPBQYAUJXTNV-UHFFFAOYSA-N
XLogP3.94
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Elbimilast
CID 9803446
4-Chloro-3-[4-(2-methyl-imidazo[4,5-b]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10552376
(1-Butyl-7-fluoroindol-3-yl)-(6-fluoro-1-methylbenzimidazol-2-yl)methanone
CID 162666156
(4-chlorophenyl)[1-methyl-5-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]methanone
CID 665250
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone
CID 10178250
6-[[2-[1-[(4-Chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 10181259
1-[4-Chloro-1-(2-ethoxy-ethyl)-1H-indol-3-yl]-2-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-piperidin-1-yl]-ethanone
CID 10528709
4-Fluoro-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10551723
4-Chloro-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10576375
6-(4-fluorophenyl)-N,N-dimethyl-3-[2-[methyl-[3-(2-methylimidazo[4,5-c]pyridin-1-yl)propyl]amino]acetyl]indole-1-carboxamide
CID 10625951
[1-(4-Chloro-benzyl)-1h-indol-3-yl]-(4-pyridin-2-yl-1h-imidazol-2-yl)-methanone
CID 12146870
1-[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]propan-1-one
CID 22022397

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone?
The IUPAC name of (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone (CID 87604253) is (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone.
What is the SMILES notation for (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone?
The canonical SMILES for (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone is O=C(c1cc(Cl)ncn1)c1cn(CCCN2CCCC2)c2cc(F)ccc12.
What is the InChIKey of (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone?
The InChIKey is RZBPBQYAUJXTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c21-19-11-17(23-13-24-19)20(27)16-12-26(9-3-8-25-6-1-2-7-25)18-10-14(22)4-5-15(16)18/h4-5,10-13H,1-3,6-9H2.
What are the key properties of (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone?
(6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone has a molecular weight of 386.86 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone is sourced from PubChem (CID 87604253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).