2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one

C22H28N4O2 — CID 86267037

IUPAC2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCN(C(=O)c2cnn3c2CCCC3)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O2/c1-2-18(17-8-4-3-5-9-17)21(27)24-12-14-25(15-13-24)22(28)19-16-23-26-11-7-6-10-20(19)26/h3-5,8-9,16,18H,2,6-7,10-15H2,1H3
InChIKeyQGMODTDHVYYWQW-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.70
Rot. Bonds4

About 2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one

2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 86267037) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID86267037
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCN(C(=O)c2cnn3c2CCCC3)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O2/c1-2-18(17-8-4-3-5-9-17)21(27)24-12-14-25(15-13-24)22(28)19-16-23-26-11-7-6-10-20(19)26/h3-5,8-9,16,18H,2,6-7,10-15H2,1H3
InChIKeyQGMODTDHVYYWQW-UHFFFAOYSA-N
XLogP2.70
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 136545627
1-(4-cyclopropylidenepiperidin-1-yl)-2-phenylbutan-1-one
CID 121186844
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56887001
1-(4-methyl-1,4-diazepan-1-yl)-2-phenylbutan-1-one
CID 6467944
(2R)-2-phenyl-1-[4-(2-pyrazol-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 95985415
2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-phenylbutan-1-one
CID 43251729
(2S)-1-(4-methylsulfonylpiperazin-1-yl)-2-phenylbutan-1-one
CID 1246525
[4-(1,2-benzoxazol-3-ylmethylsulfonyl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 91629604
1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 46454398
1-phenyl-2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 122138155

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one (CID 86267037) is 2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one is CCC(C(=O)N1CCN(C(=O)c2cnn3c2CCCC3)CC1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is QGMODTDHVYYWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-18(17-8-4-3-5-9-17)21(27)24-12-14-25(15-13-24)22(28)19-16-23-26-11-7-6-10-20(19)26/h3-5,8-9,16,18H,2,6-7,10-15H2,1H3.
What are the key properties of 2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one?
2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 380.49 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 86267037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).