[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone

C24H20N6O — CID 169166472

IUPAC[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3ccccc3cn2)c2ccccc21
InChIInChI=1S/C24H20N6O/c1-29-20-9-5-4-8-17(20)21(28-29)24(31)30-11-10-18-22(27-14-26-18)23(30)19-12-15-6-2-3-7-16(15)13-25-19/h2-9,12-14,23H,10-11H2,1H3,(H,26,27)/t23-/m1/s1
InChIKeyUYTNSTYELUDRLQ-HSZRJFAPSA-N
MW408.47 g/mol
LogP3.63
Rot. Bonds2

About [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone

[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 169166472) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone
PubChem CID169166472
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3ccccc3cn2)c2ccccc21
InChIInChI=1S/C24H20N6O/c1-29-20-9-5-4-8-17(20)21(28-29)24(31)30-11-10-18-22(27-14-26-18)23(30)19-12-15-6-2-3-7-16(15)13-25-19/h2-9,12-14,23H,10-11H2,1H3,(H,26,27)/t23-/m1/s1
InChIKeyUYTNSTYELUDRLQ-HSZRJFAPSA-N
XLogP3.63
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863064
[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169166929
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863210
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
[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863059
[6-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863234
[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863069
[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863180
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 169166856
(5-chloro-2-methyl-1,2,4-triazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332439
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3-chloro-1-methylpyrazol-5-yl)methanone
CID 177297654
[(4S)-4-cinnolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 169166643

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone (CID 169166472) is [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone is Cn1nc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3ccccc3cn2)c2ccccc21.
What is the InChIKey of [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is UYTNSTYELUDRLQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H20N6O/c1-29-20-9-5-4-8-17(20)21(28-29)24(31)30-11-10-18-22(27-14-26-18)23(30)19-12-15-6-2-3-7-16(15)13-25-19/h2-9,12-14,23H,10-11H2,1H3,(H,26,27)/t23-/m1/s1.
What are the key properties of [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone?
[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 408.47 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 169166472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).