2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one

C27H33N5O2 — CID 138577794

IUPAC2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(C4CCN(Cc5cc6n(n5)CCCC6)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C27H33N5O2/c1-18-5-8-25(26(33)28-18)31-16-21-14-20(6-7-24(21)27(31)34)19-9-12-30(13-10-19)17-22-15-23-4-2-3-11-32(23)29-22/h6-7,14-15,19,25H,1-5,8-13,16-17H2,(H,28,33)
InChIKeyVXTAFENMHWEJSF-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.35
Rot. Bonds4

About 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one

2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one (PubChem CID 138577794) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
PubChem CID138577794
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(C4CCN(Cc5cc6n(n5)CCCC6)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C27H33N5O2/c1-18-5-8-25(26(33)28-18)31-16-21-14-20(6-7-24(21)27(31)34)19-9-12-30(13-10-19)17-22-15-23-4-2-3-11-32(23)29-22/h6-7,14-15,19,25H,1-5,8-13,16-17H2,(H,28,33)
InChIKeyVXTAFENMHWEJSF-UHFFFAOYSA-N
XLogP3.35
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one with MolForge

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Related Compounds

5-[1-[(4-cyclohexylphenyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 167258222
5-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 167257458
3-[6-[1-[(2,6-dimethylphenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138577793
(3R)-3-[6-[(4S)-1-benzylazepan-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138577798
3-[6-[1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138577783
5-[(1S,5R)-9-benzyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 165091066
3-[3-oxo-6-[1-[(1-oxo-2-pyrimidin-2-yl-4,5-dihydro-3H-2-benzazepin-8-yl)methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167294392
3-[6-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-methylidene-1H-isoindol-2-yl]piperidine-2,6-dione
CID 142562559
3-[6-[1-[[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155007511
2-anilino-6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]pyridine-3-carbonitrile
CID 167293521
3-[6-[1-(2-anilinoethyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146587210
3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride
CID 158941402

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one?
The IUPAC name of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one (CID 138577794) is 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one is C=C1CCC(N2Cc3cc(C4CCN(Cc5cc6n(n5)CCCC6)CC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one?
The InChIKey is VXTAFENMHWEJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-18-5-8-25(26(33)28-18)31-16-21-14-20(6-7-24(21)27(31)34)19-9-12-30(13-10-19)17-22-15-23-4-2-3-11-32(23)29-22/h6-7,14-15,19,25H,1-5,8-13,16-17H2,(H,28,33).
What are the key properties of 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one?
2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one has a molecular weight of 459.59 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylidene-2-oxopiperidin-3-yl)-5-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one is sourced from PubChem (CID 138577794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).