7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine

C22H19ClN4 — CID 1069978

IUPAC7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine
SMILESClc1cccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)c1
InChIInChI=1S/C22H19ClN4/c23-17-9-6-10-18(13-17)27-14-19(16-7-2-1-3-8-16)20-21(24-15-25-22(20)27)26-11-4-5-12-26/h1-3,6-10,13-15H,4-5,11-12H2
InChIKeySENZMBQKIJMWGH-UHFFFAOYSA-N
MW374.88 g/mol
LogP5.34
Rot. Bonds3

About 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine

7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine (PubChem CID 1069978) has the molecular formula C22H19ClN4 and a molecular weight of 374.88 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine
PubChem CID1069978
Molecular FormulaC22H19ClN4
Molecular Weight374.88 g/mol
Exact Mass374.13
IUPAC Name7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine
SMILESClc1cccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)c1
InChIInChI=1S/C22H19ClN4/c23-17-9-6-10-18(13-17)27-14-19(16-7-2-1-3-8-16)20-21(24-15-25-22(20)27)26-11-4-5-12-26/h1-3,6-10,13-15H,4-5,11-12H2
InChIKeySENZMBQKIJMWGH-UHFFFAOYSA-N
XLogP5.34
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.88
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-[4-[7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 16647053
4-[4-(3-chlorophenyl)piperazin-1-yl]-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 5214975
7-(3-chlorophenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-phenylpyrrolo[2,3-d]pyrimidine
CID 171692056
1-[4-[7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 16647068
7-(3-chloro-4-methylphenyl)-4-[4-(2-chlorophenyl)piperazin-1-yl]-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4086108
(2-chlorophenyl)-[4-[7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 16646748
2-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 23966269
7-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4290002
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidine
CID 4629918
2-[4-[7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 3467524
4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4617707
7-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4282190

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine (CID 1069978) is 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine is Clc1cccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)c1.
What is the InChIKey of 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine?
The InChIKey is SENZMBQKIJMWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4/c23-17-9-6-10-18(13-17)27-14-19(16-7-2-1-3-8-16)20-21(24-15-25-22(20)27)26-11-4-5-12-26/h1-3,6-10,13-15H,4-5,11-12H2.
What are the key properties of 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine?
7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine has a molecular weight of 374.88 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-5-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 1069978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).