4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C22H25F2N7O2 — CID 123246309

IUPAC4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1nc(-c2ccc(N3CCNCC3)nc2)cc2ncn(C(F)F)c12)C1CNC(=O)C1
InChIInChI=1S/C22H25F2N7O2/c1-13(15-8-19(32)27-11-15)33-21-20-17(28-12-31(20)22(23)24)9-16(29-21)14-2-3-18(26-10-14)30-6-4-25-5-7-30/h2-3,9-10,12-13,15,22,25H,4-8,11H2,1H3,(H,27,32)
InChIKeyFGGWUYNCQHMUOV-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.20
Rot. Bonds6

About 4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 123246309) has the molecular formula C22H25F2N7O2 and a molecular weight of 457.49 g/mol. Its IUPAC name is 4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID123246309
Molecular FormulaC22H25F2N7O2
Molecular Weight457.49 g/mol
Exact Mass457.20
IUPAC Name4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1nc(-c2ccc(N3CCNCC3)nc2)cc2ncn(C(F)F)c12)C1CNC(=O)C1
InChIInChI=1S/C22H25F2N7O2/c1-13(15-8-19(32)27-11-15)33-21-20-17(28-12-31(20)22(23)24)9-16(29-21)14-2-3-18(26-10-14)30-6-4-25-5-7-30/h2-3,9-10,12-13,15,22,25H,4-8,11H2,1H3,(H,27,32)
InChIKeyFGGWUYNCQHMUOV-UHFFFAOYSA-N
XLogP2.20
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one 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

4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-cyclopropyloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283326
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-fluoroimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76902757
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77106864
Alflutinib
CID 118861389
1-[(4S)-4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxy]-3,3-difluoropyrrolidin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 145974681
[(3S)-3-[8-(6-methoxy-3-pyridinyl)-9-methylpurin-6-yl]oxypyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 155521814
1-{4-[(5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-phenyl}-3-[3-(trifluoromethyl)phenyl]urea
CID 52948222
6-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]oxy}-9-ethyl-8-[6-(trifluoromethyl)pyridin-3-yl]-9H-purine
CID 90166867
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-propan-2-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283304
N-(2,2-difluoroethyl)-6-methoxy-1-[(6-methoxy-5-methyl-pyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467158
1-[[6-(dimethylamino)-5-methyl-pyrimidin-4-yl]methyl]-N-(2-fluoroethyl)-6-methoxy-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467160
N-(2,2-difluoroethyl)-1-[[6-(dimethylamino)-5-methyl-pyrimidin-4-yl]methyl]-6-methoxy-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467161

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 123246309) is 4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is CC(Oc1nc(-c2ccc(N3CCNCC3)nc2)cc2ncn(C(F)F)c12)C1CNC(=O)C1.
What is the InChIKey of 4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is FGGWUYNCQHMUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O2/c1-13(15-8-19(32)27-11-15)33-21-20-17(28-12-31(20)22(23)24)9-16(29-21)14-2-3-18(26-10-14)30-6-4-25-5-7-30/h2-3,9-10,12-13,15,22,25H,4-8,11H2,1H3,(H,27,32).
What are the key properties of 4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 457.49 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(difluoromethyl)-6-(6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123246309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).