(2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone

C26H31N5O2 — CID 110236660

IUPAC(2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
SMILESCC1CCCC(C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)c2nccc3ccccc23)CC1
InChIInChI=1S/C26H31N5O2/c1-17-6-5-7-18(2)31(17)25(32)22-16-28-29-23(22)20-11-14-30(15-12-20)26(33)24-21-9-4-3-8-19(21)10-13-27-24/h3-4,8-10,13,16-18,20H,5-7,11-12,14-15H2,1-2H3,(H,28,29)
InChIKeyPZMOLIPGAWAHSF-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.38
Rot. Bonds3

About (2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone

(2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone (PubChem CID 110236660) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
PubChem CID110236660
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name(2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
SMILESCC1CCCC(C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)c2nccc3ccccc23)CC1
InChIInChI=1S/C26H31N5O2/c1-17-6-5-7-18(2)31(17)25(32)22-16-28-29-23(22)20-11-14-30(15-12-20)26(33)24-21-9-4-3-8-19(21)10-13-27-24/h3-4,8-10,13,16-18,20H,5-7,11-12,14-15H2,1-2H3,(H,28,29)
InChIKeyPZMOLIPGAWAHSF-UHFFFAOYSA-N
XLogP4.38
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone with MolForge

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Related Compounds

isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124970609
1-[4-[4-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 124987050
1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110084449
1-[4-[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 124959143
1-[4-[4-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 124959144
1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110084472
1-[4-[4-(2,6-dimethylpiperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110084471
isoquinolin-1-yl-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124951974
ethane;1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]ethanone
CID 145399194
[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 164633243
(3,4-dihydroxypyrrolidin-1-yl)-isoquinolin-1-ylmethanone
CID 106671738
1-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 92583937

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone (CID 110236660) is (2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone is CC1CCCC(C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)c2nccc3ccccc23)CC1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone?
The InChIKey is PZMOLIPGAWAHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-17-6-5-7-18(2)31(17)25(32)22-16-28-29-23(22)20-11-14-30(15-12-20)26(33)24-21-9-4-3-8-19(21)10-13-27-24/h3-4,8-10,13,16-18,20H,5-7,11-12,14-15H2,1-2H3,(H,28,29).
What are the key properties of (2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone?
(2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone has a molecular weight of 445.57 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 110236660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).