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

C24H22ClN5O2 — CID 50833845

IUPAC1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one
SMILESCn1nc(-c2nnc(-c3ccccc3Cl)o2)c2c1CCN(C(=O)CCc1ccccc1)C2
InChIInChI=1S/C24H22ClN5O2/c1-29-20-13-14-30(21(31)12-11-16-7-3-2-4-8-16)15-18(20)22(28-29)24-27-26-23(32-24)17-9-5-6-10-19(17)25/h2-10H,11-15H2,1H3
InChIKeyLCALJFOPSFAXTQ-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.31
Rot. Bonds5

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]-3-phenylpropan-1-one

1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one (PubChem CID 50833845) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 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]-3-phenylpropan-1-one.

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]-3-phenylpropan-1-one
PubChem CID50833845
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
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]-3-phenylpropan-1-one
SMILESCn1nc(-c2nnc(-c3ccccc3Cl)o2)c2c1CCN(C(=O)CCc1ccccc1)C2
InChIInChI=1S/C24H22ClN5O2/c1-29-20-13-14-30(21(31)12-11-16-7-3-2-4-8-16)15-18(20)22(28-29)24-27-26-23(32-24)17-9-5-6-10-19(17)25/h2-10H,11-15H2,1H3
InChIKeyLCALJFOPSFAXTQ-UHFFFAOYSA-N
XLogP4.31
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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]-3-phenylpropan-1-one 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]-3-phenylpropan-1-one?
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]-3-phenylpropan-1-one (CID 50833845) 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]-3-phenylpropan-1-one.
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]-3-phenylpropan-1-one?
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]-3-phenylpropan-1-one is Cn1nc(-c2nnc(-c3ccccc3Cl)o2)c2c1CCN(C(=O)CCc1ccccc1)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]-3-phenylpropan-1-one?
The InChIKey is LCALJFOPSFAXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c1-29-20-13-14-30(21(31)12-11-16-7-3-2-4-8-16)15-18(20)22(28-29)24-27-26-23(32-24)17-9-5-6-10-19(17)25/h2-10H,11-15H2,1H3.
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]-3-phenylpropan-1-one?
1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one has a molecular weight of 447.93 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]-3-phenylpropan-1-one is sourced from PubChem (CID 50833845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).