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

C22H24N8O — CID 155942731

IUPAC2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCc1cc(C)n(-c2cc(N3CCN(c4nc5c(cc4C#N)COCC5)CC3)ncn2)n1
InChIInChI=1S/C22H24N8O/c1-15-9-16(2)30(27-15)21-11-20(24-14-25-21)28-4-6-29(7-5-28)22-17(12-23)10-18-13-31-8-3-19(18)26-22/h9-11,14H,3-8,13H2,1-2H3
InChIKeyVYLSJVJUYPGUJW-UHFFFAOYSA-N
MW416.49 g/mol
LogP1.95
Rot. Bonds3

About 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

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 (PubChem CID 155942731) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID155942731
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCc1cc(C)n(-c2cc(N3CCN(c4nc5c(cc4C#N)COCC5)CC3)ncn2)n1
InChIInChI=1S/C22H24N8O/c1-15-9-16(2)30(27-15)21-11-20(24-14-25-21)28-4-6-29(7-5-28)22-17(12-23)10-18-13-31-8-3-19(18)26-22/h9-11,14H,3-8,13H2,1-2H3
InChIKeyVYLSJVJUYPGUJW-UHFFFAOYSA-N
XLogP1.95
TPSA95.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

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-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 138988925
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-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 146079862
2-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126897129
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 163346338
2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126887406
2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 146079860
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 165433794
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 155974136
2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 166260630
[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxan-4-yl)methanone
CID 122337513

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)n(-c2cc(N3CCN(c4nc5c(cc4C#N)COCC5)CC3)ncn2)n1.
What is the InChIKey of 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?
The InChIKey is VYLSJVJUYPGUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-15-9-16(2)30(27-15)21-11-20(24-14-25-21)28-4-6-29(7-5-28)22-17(12-23)10-18-13-31-8-3-19(18)26-22/h9-11,14H,3-8,13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 416.49 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155942731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).