4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one

C22H19Cl2N5O3 — CID 145350446

IUPAC4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(=O)CN1C(=O)C2(CCN(C(=O)c3cnc4[nH]ncc4c3)CC2)c2c1ccc(Cl)c2Cl
InChIInChI=1S/C22H19Cl2N5O3/c1-12(30)11-29-16-3-2-15(23)18(24)17(16)22(21(29)32)4-6-28(7-5-22)20(31)14-8-13-10-26-27-19(13)25-9-14/h2-3,8-10H,4-7,11H2,1H3,(H,25,26,27)
InChIKeyUAPLFBVXXDQQTJ-UHFFFAOYSA-N
MW472.33 g/mol
LogP3.37
Rot. Bonds3

About 4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one

4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 145350446) has the molecular formula C22H19Cl2N5O3 and a molecular weight of 472.33 g/mol. Its IUPAC name is 4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID145350446
Molecular FormulaC22H19Cl2N5O3
Molecular Weight472.33 g/mol
Exact Mass471.09
IUPAC Name4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(=O)CN1C(=O)C2(CCN(C(=O)c3cnc4[nH]ncc4c3)CC2)c2c1ccc(Cl)c2Cl
InChIInChI=1S/C22H19Cl2N5O3/c1-12(30)11-29-16-3-2-15(23)18(24)17(16)22(21(29)32)4-6-28(7-5-22)20(31)14-8-13-10-26-27-19(13)25-9-14/h2-3,8-10H,4-7,11H2,1H3,(H,25,26,27)
InChIKeyUAPLFBVXXDQQTJ-UHFFFAOYSA-N
XLogP3.37
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(1H-indazole-5-carbonyl)-4-methyl-1-(2-oxopropyl)spiro[indole-3,4'-piperidine]-2-one
CID 130323752
1-[3-[4-chloro-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
CID 153001096
4-chloro-1'-(1H-indazole-5-carbonyl)-1-[2-oxo-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[indole-3,4'-piperidine]-2-one
CID 130301873
2-[4-bromo-5-fluoro-1'-(1H-indazole-5-carbonyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 130323550
4-bromo-1'-(1H-indazole-5-carbonyl)-1-[2-oxo-2-(3,3,4-trimethylpiperazin-1-yl)ethyl]spiro[indole-3,4'-piperidine]-2-one
CID 130323545
4-chloro-5-fluoro-1'-(1H-pyrazolo[4,3-d]pyrimidine-5-carbonyl)-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 159808341
1-[2-oxo-2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]-4-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 130302067
3-[3-[(1R,2S)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopropyl]-2-oxopropyl]-1-phenyl-8-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 158974765
8-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1-pyridin-3-yl-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 159297121
5-[4-chloro-1-[2-(2,2-difluoroethylamino)-2-oxoethyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-1H-indazole-3-carboxamide
CID 145350433
5-[4-chloro-5-fluoro-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]spiro[indole-3,4'-piperidine]-1'-carbonyl]-1-methylindazole-3-carboxylic acid
CID 130302082
5'-chloro-1'-[2-[(2S)-2-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-(1H-pyrazolo[3,4-b]pyridin-5-yloxy)spiro[cyclohexane-1,3'-pyrrolo[3,2-b]pyridine]-2'-one
CID 176975188

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one (CID 145350446) is 4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one is CC(=O)CN1C(=O)C2(CCN(C(=O)c3cnc4[nH]ncc4c3)CC2)c2c1ccc(Cl)c2Cl.
What is the InChIKey of 4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is UAPLFBVXXDQQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O3/c1-12(30)11-29-16-3-2-15(23)18(24)17(16)22(21(29)32)4-6-28(7-5-22)20(31)14-8-13-10-26-27-19(13)25-9-14/h2-3,8-10H,4-7,11H2,1H3,(H,25,26,27).
What are the key properties of 4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 472.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(2-oxopropyl)-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 145350446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).