[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone

C18H22N4O2 — CID 91915304

IUPAC[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCn1nc(C2CCN(C(=O)c3ccccn3)CC2)c2c1CCOC2
InChIInChI=1S/C18H22N4O2/c1-21-16-7-11-24-12-14(16)17(20-21)13-5-9-22(10-6-13)18(23)15-4-2-3-8-19-15/h2-4,8,13H,5-7,9-12H2,1H3
InChIKeyHJFJEFHVPSSMBX-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.91
Rot. Bonds2

About [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone

[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 91915304) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID91915304
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCn1nc(C2CCN(C(=O)c3ccccn3)CC2)c2c1CCOC2
InChIInChI=1S/C18H22N4O2/c1-21-16-7-11-24-12-14(16)17(20-21)13-5-9-22(10-6-13)18(23)15-4-2-3-8-19-15/h2-4,8,13H,5-7,9-12H2,1H3
InChIKeyHJFJEFHVPSSMBX-UHFFFAOYSA-N
XLogP1.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 91915304) is [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone is Cn1nc(C2CCN(C(=O)c3ccccn3)CC2)c2c1CCOC2.
What is the InChIKey of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is HJFJEFHVPSSMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-16-7-11-24-12-14(16)17(20-21)13-5-9-22(10-6-13)18(23)15-4-2-3-8-19-15/h2-4,8,13H,5-7,9-12H2,1H3.
What are the key properties of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 91915304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).