(2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone

C20H17Cl2N3O — CID 90409605

IUPAC(2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone
SMILESCn1nc(-c2ccccc2)c2c1CN(C(=O)c1cccc(Cl)c1Cl)CC2
InChIInChI=1S/C20H17Cl2N3O/c1-24-17-12-25(20(26)15-8-5-9-16(21)18(15)22)11-10-14(17)19(23-24)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3
InChIKeyMDTAXVHEQFIWKA-UHFFFAOYSA-N
MW386.28 g/mol
LogP4.59
Rot. Bonds2

About (2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone

(2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone (PubChem CID 90409605) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone
PubChem CID90409605
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name(2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone
SMILESCn1nc(-c2ccccc2)c2c1CN(C(=O)c1cccc(Cl)c1Cl)CC2
InChIInChI=1S/C20H17Cl2N3O/c1-24-17-12-25(20(26)15-8-5-9-16(21)18(15)22)11-10-14(17)19(23-24)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3
InChIKeyMDTAXVHEQFIWKA-UHFFFAOYSA-N
XLogP4.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone (CID 90409605) is (2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone is Cn1nc(-c2ccccc2)c2c1CN(C(=O)c1cccc(Cl)c1Cl)CC2.
What is the InChIKey of (2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone?
The InChIKey is MDTAXVHEQFIWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-24-17-12-25(20(26)15-8-5-9-16(21)18(15)22)11-10-14(17)19(23-24)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone?
(2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone has a molecular weight of 386.28 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone is sourced from PubChem (CID 90409605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).