[6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C22H30N6O2 — CID 92621736

IUPAC[6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CCC(c2ccc(C(=O)N3CCN(C)CC3)cn2)CC1
InChIInChI=1S/C22H30N6O2/c1-16-19(15-26(3)24-16)22(30)27-8-6-17(7-9-27)20-5-4-18(14-23-20)21(29)28-12-10-25(2)11-13-28/h4-5,14-15,17H,6-13H2,1-3H3
InChIKeyXNWWYLAFZRCFCD-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.53
Rot. Bonds3

About [6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 92621736) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is [6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID92621736
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name[6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CCC(c2ccc(C(=O)N3CCN(C)CC3)cn2)CC1
InChIInChI=1S/C22H30N6O2/c1-16-19(15-26(3)24-16)22(30)27-8-6-17(7-9-27)20-5-4-18(14-23-20)21(29)28-12-10-25(2)11-13-28/h4-5,14-15,17H,6-13H2,1-3H3
InChIKeyXNWWYLAFZRCFCD-UHFFFAOYSA-N
XLogP1.53
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264214
2-(2-fluorophenoxy)-1-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 92621742
3-[(2R)-2-methylpiperidin-1-yl]-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621749
3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621815
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 95845498
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615597
[3-(bromomethyl)pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802318
[6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 110264458
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
(1,3-dimethylpyrazol-4-yl)-[3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264048
N-(2-methoxyethyl)-6-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 92636875
[6-[(2S)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 92623621

Frequently Asked Questions

What is the IUPAC name of [6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 92621736) is [6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is Cc1nn(C)cc1C(=O)N1CCC(c2ccc(C(=O)N3CCN(C)CC3)cn2)CC1.
What is the InChIKey of [6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is XNWWYLAFZRCFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-16-19(15-26(3)24-16)22(30)27-8-6-17(7-9-27)20-5-4-18(14-23-20)21(29)28-12-10-25(2)11-13-28/h4-5,14-15,17H,6-13H2,1-3H3.
What are the key properties of [6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 410.52 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 92621736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).