1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide

C25H20ClN5O3 — CID 122309022

IUPAC1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H20ClN5O3/c26-18-3-7-20(8-4-18)31-15-17(13-24(31)32)25(33)29-19-5-9-21(10-6-19)34-23-14-22(27-16-28-23)30-11-1-2-12-30/h1-12,14,16-17H,13,15H2,(H,29,33)
InChIKeyLREWVWCDPYDYAF-UHFFFAOYSA-N
MW473.92 g/mol
LogP4.70
Rot. Bonds6

About 1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide

1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide (PubChem CID 122309022) has the molecular formula C25H20ClN5O3 and a molecular weight of 473.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide
PubChem CID122309022
Molecular FormulaC25H20ClN5O3
Molecular Weight473.92 g/mol
Exact Mass473.13
IUPAC Name1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H20ClN5O3/c26-18-3-7-20(8-4-18)31-15-17(13-24(31)32)25(33)29-19-5-9-21(10-6-19)34-23-14-22(27-16-28-23)30-11-1-2-12-30/h1-12,14,16-17H,13,15H2,(H,29,33)
InChIKeyLREWVWCDPYDYAF-UHFFFAOYSA-N
XLogP4.70
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 122311667
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122311663
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3R)-N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2253384
N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2856431
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1366068
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
1-(4-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187469
4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 2983118
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide (CID 122309022) is 1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide?
The InChIKey is LREWVWCDPYDYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O3/c26-18-3-7-20(8-4-18)31-15-17(13-24(31)32)25(33)29-19-5-9-21(10-6-19)34-23-14-22(27-16-28-23)30-11-1-2-12-30/h1-12,14,16-17H,13,15H2,(H,29,33).
What are the key properties of 1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide has a molecular weight of 473.92 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-oxo-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 122309022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).