1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone

C24H20N6O — CID 169166586

IUPAC1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone
SMILESO=C(Cc1cnn2ccccc12)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1
InChIInChI=1S/C24H20N6O/c31-22(12-18-14-28-30-9-4-3-7-21(18)30)29-10-8-19-23(27-15-26-19)24(29)20-11-16-5-1-2-6-17(16)13-25-20/h1-7,9,11,13-15,24H,8,10,12H2,(H,26,27)/t24-/m1/s1
InChIKeyLKXHZKNDIZFJIZ-XMMPIXPASA-N
MW408.47 g/mol
LogP3.32
Rot. Bonds3

About 1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone

1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone (PubChem CID 169166586) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone
PubChem CID169166586
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone
SMILESO=C(Cc1cnn2ccccc12)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1
InChIInChI=1S/C24H20N6O/c31-22(12-18-14-28-30-9-4-3-7-21(18)30)29-10-8-19-23(27-15-26-19)24(29)20-11-16-5-1-2-6-17(16)13-25-20/h1-7,9,11,13-15,24H,8,10,12H2,(H,26,27)/t24-/m1/s1
InChIKeyLKXHZKNDIZFJIZ-XMMPIXPASA-N
XLogP3.32
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone?
The IUPAC name of 1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone (CID 169166586) is 1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone.
What is the SMILES notation for 1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone?
The canonical SMILES for 1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone is O=C(Cc1cnn2ccccc12)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1.
What is the InChIKey of 1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone?
The InChIKey is LKXHZKNDIZFJIZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20N6O/c31-22(12-18-14-28-30-9-4-3-7-21(18)30)29-10-8-19-23(27-15-26-19)24(29)20-11-16-5-1-2-6-17(16)13-25-20/h1-7,9,11,13-15,24H,8,10,12H2,(H,26,27)/t24-/m1/s1.
What are the key properties of 1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone?
1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone has a molecular weight of 408.47 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyrazolo[1,5-a]pyridin-3-ylethanone is sourced from PubChem (CID 169166586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).