2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C19H21N7O2 — CID 126946237

IUPAC2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCN1CCN(c2cnn(C3CN(c4nc5c(cc4C#N)COCC5)C3)c2)C1=O
InChIInChI=1S/C19H21N7O2/c1-23-3-4-25(19(23)27)15-8-21-26(11-15)16-9-24(10-16)18-13(7-20)6-14-12-28-5-2-17(14)22-18/h6,8,11,16H,2-5,9-10,12H2,1H3
InChIKeyHDASYAKYTCKIOY-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.16
Rot. Bonds3

About 2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 126946237) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID126946237
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCN1CCN(c2cnn(C3CN(c4nc5c(cc4C#N)COCC5)C3)c2)C1=O
InChIInChI=1S/C19H21N7O2/c1-23-3-4-25(19(23)27)15-8-21-26(11-15)16-9-24(10-16)18-13(7-20)6-14-12-28-5-2-17(14)22-18/h6,8,11,16H,2-5,9-10,12H2,1H3
InChIKeyHDASYAKYTCKIOY-UHFFFAOYSA-N
XLogP1.16
TPSA90.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126892414
2-[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126945890
2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 138988925
1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946288
2-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126897129
1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946062
1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946105
2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 166260630
4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one
CID 126946213
1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946060
4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
CID 126948772
1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948793

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 126946237) is 2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is CN1CCN(c2cnn(C3CN(c4nc5c(cc4C#N)COCC5)C3)c2)C1=O.
What is the InChIKey of 2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is HDASYAKYTCKIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-23-3-4-25(19(23)27)15-8-21-26(11-15)16-9-24(10-16)18-13(7-20)6-14-12-28-5-2-17(14)22-18/h6,8,11,16H,2-5,9-10,12H2,1H3.
What are the key properties of 2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 379.42 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 126946237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).