3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C29H33N7O2 — CID 121373187

IUPAC3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C)cn5)c(C#N)cc43)nn2C2CCOCC2)C1
InChIInChI=1S/C29H33N7O2/c1-19-5-6-25(32-17-19)23-14-20-4-3-10-35(27(20)15-21(23)16-30)28-24-18-34(29(37)31-2)11-7-26(24)36(33-28)22-8-12-38-13-9-22/h5-6,14-15,17,22H,3-4,7-13,18H2,1-2H3,(H,31,37)
InChIKeyUOHXHQYVJNLSCY-UHFFFAOYSA-N
MW511.63 g/mol
LogP4.26
Rot. Bonds3

About 3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121373187) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is 3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121373187
Molecular FormulaC29H33N7O2
Molecular Weight511.63 g/mol
Exact Mass511.27
IUPAC Name3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C)cn5)c(C#N)cc43)nn2C2CCOCC2)C1
InChIInChI=1S/C29H33N7O2/c1-19-5-6-25(32-17-19)23-14-20-4-3-10-35(27(20)15-21(23)16-30)28-24-18-34(29(37)31-2)11-7-26(24)36(33-28)22-8-12-38-13-9-22/h5-6,14-15,17,22H,3-4,7-13,18H2,1-2H3,(H,31,37)
InChIKeyUOHXHQYVJNLSCY-UHFFFAOYSA-N
XLogP4.26
TPSA99.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 121373187) is 3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C)cn5)c(C#N)cc43)nn2C2CCOCC2)C1.
What is the InChIKey of 3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is UOHXHQYVJNLSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-19-5-6-25(32-17-19)23-14-20-4-3-10-35(27(20)15-21(23)16-30)28-24-18-34(29(37)31-2)11-7-26(24)36(33-28)22-8-12-38-13-9-22/h5-6,14-15,17,22H,3-4,7-13,18H2,1-2H3,(H,31,37).
What are the key properties of 3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-cyano-6-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121373187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).