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

C20H22N6O — CID 95715309

IUPAC[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2nnnn2c1)N1CCN([C@@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H22N6O/c27-20(17-6-8-19-21-22-23-26(19)14-17)25-11-9-24(10-12-25)18-7-5-15-3-1-2-4-16(15)13-18/h1-4,6,8,14,18H,5,7,9-13H2/t18-/m1/s1
InChIKeyCKUZWCJUDNKLCI-GOSISDBHSA-N
MW362.44 g/mol
LogP1.44
Rot. Bonds2

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

[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 95715309) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID95715309
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2nnnn2c1)N1CCN([C@@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C20H22N6O/c27-20(17-6-8-19-21-22-23-26(19)14-17)25-11-9-24(10-12-25)18-7-5-15-3-1-2-4-16(15)13-18/h1-4,6,8,14,18H,5,7,9-13H2/t18-/m1/s1
InChIKeyCKUZWCJUDNKLCI-GOSISDBHSA-N
XLogP1.44
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95720627
(6-amino-3-pyridinyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725486
2H-benzotriazol-5-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56910480
[4-(cyclopropylmethyl)piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 84586833
[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56908104
[2-(methylamino)-4-pyridinyl]-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95722811
(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56913190
(2-methyl-3H-benzimidazol-5-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709274
(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70711621
1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95706821
1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 126428921
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56904168

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of [4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone (CID 95715309) is [4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for [4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for [4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone is O=C(c1ccc2nnnn2c1)N1CCN([C@@H]2CCc3ccccc3C2)CC1.
What is the InChIKey of [4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is CKUZWCJUDNKLCI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(17-6-8-19-21-22-23-26(19)14-17)25-11-9-24(10-12-25)18-7-5-15-3-1-2-4-16(15)13-18/h1-4,6,8,14,18H,5,7,9-13H2/t18-/m1/s1.
What are the key properties of [4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone?
[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 362.44 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 95715309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).