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

C19H24N4O2 — CID 91915300

IUPAC[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3nn(C)c4c3COCC4)CC2)cn1
InChIInChI=1S/C19H24N4O2/c1-13-3-4-15(11-20-13)19(24)23-8-5-14(6-9-23)18-16-12-25-10-7-17(16)22(2)21-18/h3-4,11,14H,5-10,12H2,1-2H3
InChIKeyLBUMTAUUDLHEPG-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.22
Rot. Bonds2

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

[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 91915300) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID91915300
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3nn(C)c4c3COCC4)CC2)cn1
InChIInChI=1S/C19H24N4O2/c1-13-3-4-15(11-20-13)19(24)23-8-5-14(6-9-23)18-16-12-25-10-7-17(16)22(2)21-18/h3-4,11,14H,5-10,12H2,1-2H3
InChIKeyLBUMTAUUDLHEPG-UHFFFAOYSA-N
XLogP2.22
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.22
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]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 91915300) is [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCC(c3nn(C)c4c3COCC4)CC2)cn1.
What is the InChIKey of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is LBUMTAUUDLHEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-3-4-15(11-20-13)19(24)23-8-5-14(6-9-23)18-16-12-25-10-7-17(16)22(2)21-18/h3-4,11,14H,5-10,12H2,1-2H3.
What are the key properties of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.22, 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]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 91915300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).