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

C18H22N4O2 — CID 91905679

IUPAC[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCn1nc(C2CCN(C(=O)c3ccncc3)CC2)c2c1CCOC2
InChIInChI=1S/C18H22N4O2/c1-21-16-6-11-24-12-15(16)17(20-21)13-4-9-22(10-5-13)18(23)14-2-7-19-8-3-14/h2-3,7-8,13H,4-6,9-12H2,1H3
InChIKeyJRXBGOFCTDJFIT-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-4-ylmethanone

[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 91905679) 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-4-ylmethanone.

Molecular Properties

Compound Name[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID91905679
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-4-ylmethanone
SMILESCn1nc(C2CCN(C(=O)c3ccncc3)CC2)c2c1CCOC2
InChIInChI=1S/C18H22N4O2/c1-21-16-6-11-24-12-15(16)17(20-21)13-4-9-22(10-5-13)18(23)14-2-7-19-8-3-14/h2-3,7-8,13H,4-6,9-12H2,1H3
InChIKeyJRXBGOFCTDJFIT-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-4-ylmethanone?
The IUPAC name of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 91905679) is [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-4-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-4-ylmethanone?
The canonical SMILES for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-4-ylmethanone is Cn1nc(C2CCN(C(=O)c3ccncc3)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-4-ylmethanone?
The InChIKey is JRXBGOFCTDJFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-16-6-11-24-12-15(16)17(20-21)13-4-9-22(10-5-13)18(23)14-2-7-19-8-3-14/h2-3,7-8,13H,4-6,9-12H2,1H3.
What are the key properties of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyridin-4-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-4-ylmethanone is sourced from PubChem (CID 91905679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).