(2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone

C18H15Cl2N5O — CID 90455814

IUPAC(2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone
SMILESCC1c2[nH]nc(-c3cnccn3)c2CCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H15Cl2N5O/c1-10-16-12(17(24-23-16)14-9-21-6-7-22-14)5-8-25(10)18(26)11-3-2-4-13(19)15(11)20/h2-4,6-7,9-10H,5,8H2,1H3,(H,23,24)
InChIKeyDWCRCZNFJFGBCZ-UHFFFAOYSA-N
MW388.26 g/mol
LogP3.93
Rot. Bonds2

About (2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone

(2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone (PubChem CID 90455814) has the molecular formula C18H15Cl2N5O and a molecular weight of 388.26 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone
PubChem CID90455814
Molecular FormulaC18H15Cl2N5O
Molecular Weight388.26 g/mol
Exact Mass387.07
IUPAC Name(2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone
SMILESCC1c2[nH]nc(-c3cnccn3)c2CCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H15Cl2N5O/c1-10-16-12(17(24-23-16)14-9-21-6-7-22-14)5-8-25(10)18(26)11-3-2-4-13(19)15(11)20/h2-4,6-7,9-10H,5,8H2,1H3,(H,23,24)
InChIKeyDWCRCZNFJFGBCZ-UHFFFAOYSA-N
XLogP3.93
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone (CID 90455814) is (2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone is CC1c2[nH]nc(-c3cnccn3)c2CCN1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone?
The InChIKey is DWCRCZNFJFGBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O/c1-10-16-12(17(24-23-16)14-9-21-6-7-22-14)5-8-25(10)18(26)11-3-2-4-13(19)15(11)20/h2-4,6-7,9-10H,5,8H2,1H3,(H,23,24).
What are the key properties of (2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone?
(2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone has a molecular weight of 388.26 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(7-methyl-3-pyrazin-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone is sourced from PubChem (CID 90455814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).