1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one

C27H28ClN7O2 — CID 70992089

IUPAC1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCc1ncnc2c1c(-c1ccccc1Cl)cn2CC(=O)N1CCC(n2c3c([nH]c2=O)NCC=C3)CC1
InChIInChI=1S/C27H28ClN7O2/c1-2-21-24-19(18-6-3-4-7-20(18)28)14-34(26(24)31-16-30-21)15-23(36)33-12-9-17(10-13-33)35-22-8-5-11-29-25(22)32-27(35)37/h3-8,14,16-17,29H,2,9-13,15H2,1H3,(H,32,37)
InChIKeyJJARSCDXNBEXRU-UHFFFAOYSA-N
MW518.02 g/mol
LogP4.11
Rot. Bonds5

About 1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 70992089) has the molecular formula C27H28ClN7O2 and a molecular weight of 518.02 g/mol. Its IUPAC name is 1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID70992089
Molecular FormulaC27H28ClN7O2
Molecular Weight518.02 g/mol
Exact Mass517.20
IUPAC Name1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCc1ncnc2c1c(-c1ccccc1Cl)cn2CC(=O)N1CCC(n2c3c([nH]c2=O)NCC=C3)CC1
InChIInChI=1S/C27H28ClN7O2/c1-2-21-24-19(18-6-3-4-7-20(18)28)14-34(26(24)31-16-30-21)15-23(36)33-12-9-17(10-13-33)35-22-8-5-11-29-25(22)32-27(35)37/h3-8,14,16-17,29H,2,9-13,15H2,1H3,(H,32,37)
InChIKeyJJARSCDXNBEXRU-UHFFFAOYSA-N
XLogP4.11
TPSA100.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.02
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

1-[1-[2-[4-acetyl-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 143824151
1-[1-[2-[4-amino-5-(2,3-dichlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 68877072
3-[1-[2-[4-(tert-butylamino)-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one
CID 70991822
1-[1-[2-[5-(2,2-difluoro-1,3-benzodioxol-4-yl)-4-(3-hydroxyazetidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 162585875
2-[5-(2-chlorophenyl)-4-(1-ethoxyethenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid
CID 68874666
3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 136560318
N-[(2S,6R)-2-(2,3-difluorophenyl)-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-oxazepan-6-yl]-4-(2-oxo-4,5-dihydro-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 71028414
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942
2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 90493325
methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate
CID 717639
1'-[2-[5-(2,5-dichlorophenyl)-4-(3-hydroxyazetidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
CID 70991968

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one (CID 70992089) is 1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one is CCc1ncnc2c1c(-c1ccccc1Cl)cn2CC(=O)N1CCC(n2c3c([nH]c2=O)NCC=C3)CC1.
What is the InChIKey of 1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is JJARSCDXNBEXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN7O2/c1-2-21-24-19(18-6-3-4-7-20(18)28)14-34(26(24)31-16-30-21)15-23(36)33-12-9-17(10-13-33)35-22-8-5-11-29-25(22)32-27(35)37/h3-8,14,16-17,29H,2,9-13,15H2,1H3,(H,32,37).
What are the key properties of 1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 518.02 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[5-(2-chlorophenyl)-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperidin-4-yl]-4,5-dihydro-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 70992089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).