[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C17H22N6O — CID 56778572

IUPAC[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCN(c1cccnn1)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1
InChIInChI=1S/C17H22N6O/c1-22(15-6-3-9-18-20-15)12-7-10-23(11-8-12)17(24)16-13-4-2-5-14(13)19-21-16/h3,6,9,12H,2,4-5,7-8,10-11H2,1H3,(H,19,21)
InChIKeySPPIIBSNBKRFPU-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.43
Rot. Bonds3

About [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 56778572) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID56778572
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCN(c1cccnn1)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1
InChIInChI=1S/C17H22N6O/c1-22(15-6-3-9-18-20-15)12-7-10-23(11-8-12)17(24)16-13-4-2-5-14(13)19-21-16/h3,6,9,12H,2,4-5,7-8,10-11H2,1H3,(H,19,21)
InChIKeySPPIIBSNBKRFPU-UHFFFAOYSA-N
XLogP1.43
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 56778572) is [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is CN(c1cccnn1)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1.
What is the InChIKey of [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is SPPIIBSNBKRFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-22(15-6-3-9-18-20-15)12-7-10-23(11-8-12)17(24)16-13-4-2-5-14(13)19-21-16/h3,6,9,12H,2,4-5,7-8,10-11H2,1H3,(H,19,21).
What are the key properties of [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 56778572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).