[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone

C20H20ClN5O — CID 53203673

IUPAC[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCN(c2nnc3ccc(Cl)cn23)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H20ClN5O/c21-16-6-7-17-22-23-19(26(17)14-16)25-12-10-24(11-13-25)18(27)20(8-9-20)15-4-2-1-3-5-15/h1-7,14H,8-13H2
InChIKeyPZYJKSRUMSDDOH-UHFFFAOYSA-N
MW381.87 g/mol
LogP2.76
Rot. Bonds3

About [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone

[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 53203673) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID53203673
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCN(c2nnc3ccc(Cl)cn23)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H20ClN5O/c21-16-6-7-17-22-23-19(26(17)14-16)25-12-10-24(11-13-25)18(27)20(8-9-20)15-4-2-1-3-5-15/h1-7,14H,8-13H2
InChIKeyPZYJKSRUMSDDOH-UHFFFAOYSA-N
XLogP2.76
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone (CID 53203673) is [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone is O=C(N1CCN(c2nnc3ccc(Cl)cn23)CC1)C1(c2ccccc2)CC1.
What is the InChIKey of [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is PZYJKSRUMSDDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-16-6-7-17-22-23-19(26(17)14-16)25-12-10-24(11-13-25)18(27)20(8-9-20)15-4-2-1-3-5-15/h1-7,14H,8-13H2.
What are the key properties of [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone?
[4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 381.87 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 53203673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).