[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone

C22H28N4O — CID 56887001

IUPAC[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1cnn2c1CCCC2)N1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H28N4O/c27-22(20-16-23-26-10-4-3-7-21(20)26)25-13-11-24(12-14-25)19-9-8-17-5-1-2-6-18(17)15-19/h1-2,5-6,16,19H,3-4,7-15H2
InChIKeyXFYHNEVUBYUUQI-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.53
Rot. Bonds2

About [4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone

[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 56887001) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is [4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID56887001
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1cnn2c1CCCC2)N1CCN(C2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H28N4O/c27-22(20-16-23-26-10-4-3-7-21(20)26)25-13-11-24(12-14-25)19-9-8-17-5-1-2-6-18(17)15-19/h1-2,5-6,16,19H,3-4,7-15H2
InChIKeyXFYHNEVUBYUUQI-UHFFFAOYSA-N
XLogP2.53
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 136542265
4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 126437582
2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 120517737
(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95720627
3-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 95729823
(2-fluoro-4-methylphenyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95708503
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95726043
quinoxalin-5-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725882
2-(2-chlorophenyl)-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 86267039
(6-amino-3-pyridinyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725486
[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 95720181
1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95706821

Frequently Asked Questions

What is the IUPAC name of [4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [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) is [4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone is O=C(c1cnn2c1CCCC2)N1CCN(C2CCc3ccccc3C2)CC1.
What is the InChIKey of [4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is XFYHNEVUBYUUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(20-16-23-26-10-4-3-7-21(20)26)25-13-11-24(12-14-25)19-9-8-17-5-1-2-6-18(17)15-19/h1-2,5-6,16,19H,3-4,7-15H2.
What are the key properties of [4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone?
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 56887001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).