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

C22H24N4O2 — CID 91905677

IUPAC[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCn1nc(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)c2c1CCOC2
InChIInChI=1S/C22H24N4O2/c1-25-20-8-12-28-14-18(20)21(24-25)15-6-10-26(11-7-15)22(27)17-4-5-19-16(13-17)3-2-9-23-19/h2-5,9,13,15H,6-8,10-12,14H2,1H3
InChIKeyHNNUTPFRSQSJJN-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.06
Rot. Bonds2

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

[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 91905677) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone
PubChem CID91905677
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCn1nc(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)c2c1CCOC2
InChIInChI=1S/C22H24N4O2/c1-25-20-8-12-28-14-18(20)21(24-25)15-6-10-26(11-7-15)22(27)17-4-5-19-16(13-17)3-2-9-23-19/h2-5,9,13,15H,6-8,10-12,14H2,1H3
InChIKeyHNNUTPFRSQSJJN-UHFFFAOYSA-N
XLogP3.06
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.06
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]-quinolin-6-ylmethanone?
The IUPAC name of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone (CID 91905677) is [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone is Cn1nc(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)c2c1CCOC2.
What is the InChIKey of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is HNNUTPFRSQSJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-20-8-12-28-14-18(20)21(24-25)15-6-10-26(11-7-15)22(27)17-4-5-19-16(13-17)3-2-9-23-19/h2-5,9,13,15H,6-8,10-12,14H2,1H3.
What are the key properties of [4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone?
[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 376.46 g/mol, XLogP of 3.06, 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]-quinolin-6-ylmethanone is sourced from PubChem (CID 91905677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).