1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane

C25H32ClF2N5O — CID 171626942

IUPAC1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane
SMILESCC.CC.CC.O=C1CCCN1c1cncc(Nc2ncc(Cl)c(-c3ccc(F)cc3F)n2)c1
InChIInChI=1S/C19H14ClF2N5O.3C2H6/c20-15-10-24-19(26-18(15)14-4-3-11(21)6-16(14)22)25-12-7-13(9-23-8-12)27-5-1-2-17(27)28;3*1-2/h3-4,6-10H,1-2,5H2,(H,24,25,26);3*1-2H3
InChIKeyDQKOHRYYXNATRY-UHFFFAOYSA-N
MW492.01 g/mol
LogP7.42
Rot. Bonds4

About 1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane

1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane (PubChem CID 171626942) has the molecular formula C25H32ClF2N5O and a molecular weight of 492.01 g/mol. Its IUPAC name is 1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane.

Molecular Properties

Compound Name1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane
PubChem CID171626942
Molecular FormulaC25H32ClF2N5O
Molecular Weight492.01 g/mol
Exact Mass491.23
IUPAC Name1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane
SMILESCC.CC.CC.O=C1CCCN1c1cncc(Nc2ncc(Cl)c(-c3ccc(F)cc3F)n2)c1
InChIInChI=1S/C19H14ClF2N5O.3C2H6/c20-15-10-24-19(26-18(15)14-4-3-11(21)6-16(14)22)25-12-7-13(9-23-8-12)27-5-1-2-17(27)28;3*1-2/h3-4,6-10H,1-2,5H2,(H,24,25,26);3*1-2H3
InChIKeyDQKOHRYYXNATRY-UHFFFAOYSA-N
XLogP7.42
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.01
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[[5-chloro-4-(3-chlorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171627031
1-[5-[[5-chloro-4-(4-methyl-3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171627154
1-[5-[[5-chloro-4-(4-cyclopropylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171626958
1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171626914
1-[5-[[5-chloro-4-(1-cyclopentylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171627453
tert-butyl 4-[5-chloro-2-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171627474
1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171626848
1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;methylideneniobium
CID 171626913
1-[5-[[5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171627124
N-butyl-1-[5-chloro-2-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidine-3-carboxamide
CID 171627358
(5S)-1-[5-chloro-6-[3-[(2R)-1-[5-chloro-2-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-5-oxopyrrolidin-2-yl]phenyl]-2-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-5-phenylpyrrolidin-2-one
CID 171627476
1-[4-[2-[[5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]-4-methoxypyrimidin-5-yl]phenyl]pyrrolidin-2-one
CID 155387263

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane?
The IUPAC name of 1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane (CID 171626942) is 1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane.
What is the SMILES notation for 1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane?
The canonical SMILES for 1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane is CC.CC.CC.O=C1CCCN1c1cncc(Nc2ncc(Cl)c(-c3ccc(F)cc3F)n2)c1.
What is the InChIKey of 1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane?
The InChIKey is DQKOHRYYXNATRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N5O.3C2H6/c20-15-10-24-19(26-18(15)14-4-3-11(21)6-16(14)22)25-12-7-13(9-23-8-12)27-5-1-2-17(27)28;3*1-2/h3-4,6-10H,1-2,5H2,(H,24,25,26);3*1-2H3.
What are the key properties of 1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane?
1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane has a molecular weight of 492.01 g/mol, XLogP of 7.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane is sourced from PubChem (CID 171626942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).