1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one

C27H25N7O3 — CID 142612685

IUPAC1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2ccc(Nc3cncc(N4CCN(Cc5cnco5)C4=O)c3)nc2)cc1
InChIInChI=1S/C27H25N7O3/c35-26-2-1-9-33(26)22-6-3-19(4-7-22)20-5-8-25(30-13-20)31-21-12-23(15-28-14-21)34-11-10-32(27(34)36)17-24-16-29-18-37-24/h3-8,12-16,18H,1-2,9-11,17H2,(H,30,31)
InChIKeyLSXRPFSILAXOJN-UHFFFAOYSA-N
MW495.54 g/mol
LogP4.44
Rot. Bonds7

About 1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one

1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one (PubChem CID 142612685) has the molecular formula C27H25N7O3 and a molecular weight of 495.54 g/mol. Its IUPAC name is 1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one
PubChem CID142612685
Molecular FormulaC27H25N7O3
Molecular Weight495.54 g/mol
Exact Mass495.20
IUPAC Name1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2ccc(Nc3cncc(N4CCN(Cc5cnco5)C4=O)c3)nc2)cc1
InChIInChI=1S/C27H25N7O3/c35-26-2-1-9-33(26)22-6-3-19(4-7-22)20-5-8-25(30-13-20)31-21-12-23(15-28-14-21)34-11-10-32(27(34)36)17-24-16-29-18-37-24/h3-8,12-16,18H,1-2,9-11,17H2,(H,30,31)
InChIKeyLSXRPFSILAXOJN-UHFFFAOYSA-N
XLogP4.44
TPSA107.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one with MolForge

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Related Compounds

2-amino-N-[4-[[2-oxo-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-1-yl]methyl]phenyl]acetamide
CID 142612445
1-[4-[6-[[5-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155225814
2-methyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide
CID 142612293
2-cyclopropyl-N-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]morpholine-4-carboxamide
CID 142612607
1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one
CID 142612116
1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 142612441
2,3-dimethyl-4-[6-[[5-[2-oxo-3-(1,3-thiazol-4-ylmethyl)imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide
CID 175071077
azetidin-1-yl-[4-[6-(pyridin-3-ylamino)-3-pyridinyl]phenyl]methanone;N,N-dimethyl-4-[5-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrazin-2-yl]benzamide
CID 166784753
tert-butyl N-[3-[3-oxo-3-[[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]propyl]phenyl]carbamate
CID 142612436
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide
CID 142612626
1-[5-[[5-chloro-4-(4-cyclopropylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171626958

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one (CID 142612685) is 1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one is O=C1CCCN1c1ccc(-c2ccc(Nc3cncc(N4CCN(Cc5cnco5)C4=O)c3)nc2)cc1.
What is the InChIKey of 1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one?
The InChIKey is LSXRPFSILAXOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O3/c35-26-2-1-9-33(26)22-6-3-19(4-7-22)20-5-8-25(30-13-20)31-21-12-23(15-28-14-21)34-11-10-32(27(34)36)17-24-16-29-18-37-24/h3-8,12-16,18H,1-2,9-11,17H2,(H,30,31).
What are the key properties of 1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one?
1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one has a molecular weight of 495.54 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-5-ylmethyl)-3-[5-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 142612685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).