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

C19H27N5O — CID 126892414

IUPAC2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC(C)N1CCN(C2CN(c3nc4c(cc3C#N)COCC4)C2)CC1
InChIInChI=1S/C19H27N5O/c1-14(2)22-4-6-23(7-5-22)17-11-24(12-17)19-15(10-20)9-16-13-25-8-3-18(16)21-19/h9,14,17H,3-8,11-13H2,1-2H3
InChIKeyUCMFRYHOINLLBP-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.24
Rot. Bonds3

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

2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 126892414) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID126892414
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC(C)N1CCN(C2CN(c3nc4c(cc3C#N)COCC4)C2)CC1
InChIInChI=1S/C19H27N5O/c1-14(2)22-4-6-23(7-5-22)17-11-24(12-17)19-15(10-20)9-16-13-25-8-3-18(16)21-19/h9,14,17H,3-8,11-13H2,1-2H3
InChIKeyUCMFRYHOINLLBP-UHFFFAOYSA-N
XLogP1.24
TPSA55.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 138988925
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
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79927493
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 155801038
2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126887406
2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126893638
2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126929854
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 155942731
2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 166260630
N-[[1-(3-cyano-7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
CID 175648199
2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126895922
2-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126897129

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 126892414) is 2-[3-(4-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is CC(C)N1CCN(C2CN(c3nc4c(cc3C#N)COCC4)C2)CC1.
What is the InChIKey of 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is UCMFRYHOINLLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)22-4-6-23(7-5-22)17-11-24(12-17)19-15(10-20)9-16-13-25-8-3-18(16)21-19/h9,14,17H,3-8,11-13H2,1-2H3.
What are the key properties of 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 341.46 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 126892414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).