1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone

C21H18ClN5O2S — CID 53018975

IUPAC1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
SMILESCn1nc(-c2nnc(-c3ccccc3Cl)o2)c2c1CCN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C21H18ClN5O2S/c1-26-17-8-9-27(18(28)11-13-5-4-10-30-13)12-15(17)19(25-26)21-24-23-20(29-21)14-6-2-3-7-16(14)22/h2-7,10H,8-9,11-12H2,1H3
InChIKeyQNOSCQYACVOWAN-UHFFFAOYSA-N
MW439.93 g/mol
LogP3.98
Rot. Bonds4

About 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone

1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone (PubChem CID 53018975) has the molecular formula C21H18ClN5O2S and a molecular weight of 439.93 g/mol. Its IUPAC name is 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
PubChem CID53018975
Molecular FormulaC21H18ClN5O2S
Molecular Weight439.93 g/mol
Exact Mass439.09
IUPAC Name1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
SMILESCn1nc(-c2nnc(-c3ccccc3Cl)o2)c2c1CCN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C21H18ClN5O2S/c1-26-17-8-9-27(18(28)11-13-5-4-10-30-13)12-15(17)19(25-26)21-24-23-20(29-21)14-6-2-3-7-16(14)22/h2-7,10H,8-9,11-12H2,1H3
InChIKeyQNOSCQYACVOWAN-UHFFFAOYSA-N
XLogP3.98
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.93
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone (CID 53018975) is 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone is Cn1nc(-c2nnc(-c3ccccc3Cl)o2)c2c1CCN(C(=O)Cc1cccs1)C2.
What is the InChIKey of 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone?
The InChIKey is QNOSCQYACVOWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2S/c1-26-17-8-9-27(18(28)11-13-5-4-10-30-13)12-15(17)19(25-26)21-24-23-20(29-21)14-6-2-3-7-16(14)22/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone?
1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone has a molecular weight of 439.93 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 53018975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).