2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C17H23N5O — CID 126923237

IUPAC2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1Cc1cnn2c1CCCC2
InChIInChI=1S/C17H23N5O/c23-17-7-3-8-18-22(17)13-15-5-4-9-20(15)12-14-11-19-21-10-2-1-6-16(14)21/h3,7-8,11,15H,1-2,4-6,9-10,12-13H2
InChIKeyVACOVLUCMRPNGX-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.44
Rot. Bonds4

About 2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923237) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923237
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1Cc1cnn2c1CCCC2
InChIInChI=1S/C17H23N5O/c23-17-7-3-8-18-22(17)13-15-5-4-9-20(15)12-14-11-19-21-10-2-1-6-16(14)21/h3,7-8,11,15H,1-2,4-6,9-10,12-13H2
InChIKeyVACOVLUCMRPNGX-UHFFFAOYSA-N
XLogP1.44
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924431
2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923188
2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923176
2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923300
2-[[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925446
2-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923308
2-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926184
2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923278
2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923085
2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923152
2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209523
4-[2-[2-[(6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]ethyl]morpholin-3-one
CID 126923305

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923237) is 2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1cccnn1CC1CCCN1Cc1cnn2c1CCCC2.
What is the InChIKey of 2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is VACOVLUCMRPNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c23-17-7-3-8-18-22(17)13-15-5-4-9-20(15)12-14-11-19-21-10-2-1-6-16(14)21/h3,7-8,11,15H,1-2,4-6,9-10,12-13H2.
What are the key properties of 2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 313.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).