1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one

C17H26N4O — CID 126899394

IUPAC1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(Cc2cc3n(n2)CCCC3)CC1
InChIInChI=1S/C17H26N4O/c22-17-5-3-8-20(17)15-6-10-19(11-7-15)13-14-12-16-4-1-2-9-21(16)18-14/h12,15H,1-11,13H2
InChIKeyDHOZUJLFBIYOHA-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.81
Rot. Bonds3

About 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899394) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899394
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(Cc2cc3n(n2)CCCC3)CC1
InChIInChI=1S/C17H26N4O/c22-17-5-3-8-20(17)15-6-10-19(11-7-15)13-14-12-16-4-1-2-9-21(16)18-14/h12,15H,1-11,13H2
InChIKeyDHOZUJLFBIYOHA-UHFFFAOYSA-N
XLogP1.81
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899404
1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]azepan-2-one
CID 134792490
3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one;dihydrochloride
CID 154893702
2-[[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864442
1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948031
2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 166240280
2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126900257
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine
CID 53397595
6-tert-butyl-3-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910639
1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione
CID 167823651
1-[1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 122138464
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one
CID 134794419

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one (CID 126899394) is 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(Cc2cc3n(n2)CCCC3)CC1.
What is the InChIKey of 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is DHOZUJLFBIYOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c22-17-5-3-8-20(17)15-6-10-19(11-7-15)13-14-12-16-4-1-2-9-21(16)18-14/h12,15H,1-11,13H2.
What are the key properties of 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 302.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).