[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

C28H27N7O2 — CID 176863234

IUPAC[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
SMILESO=C(c1cnn2cc(N3CCC(O)CC3)ccc12)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1
InChIInChI=1S/C28H27N7O2/c36-21-7-10-33(11-8-21)20-5-6-25-22(15-32-35(25)16-20)28(37)34-12-9-23-26(31-17-30-23)27(34)24-13-18-3-1-2-4-19(18)14-29-24/h1-6,13-17,21,27,36H,7-12H2,(H,30,31)/t27-/m1/s1
InChIKeyUIEQAZANERIIID-HHHXNRCGSA-N
MW493.57 g/mol
LogP3.35
Rot. Bonds3

About [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

[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 (PubChem CID 176863234) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID176863234
Molecular FormulaC28H27N7O2
Molecular Weight493.57 g/mol
Exact Mass493.22
IUPAC Name[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
SMILESO=C(c1cnn2cc(N3CCC(O)CC3)ccc12)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1
InChIInChI=1S/C28H27N7O2/c36-21-7-10-33(11-8-21)20-5-6-25-22(15-32-35(25)16-20)28(37)34-12-9-23-26(31-17-30-23)27(34)24-13-18-3-1-2-4-19(18)14-29-24/h1-6,13-17,21,27,36H,7-12H2,(H,30,31)/t27-/m1/s1
InChIKeyUIEQAZANERIIID-HHHXNRCGSA-N
XLogP3.35
TPSA102.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=C(c1cnn2cc(N3CCC(O)CC3)ccc12)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1.
What is the InChIKey of [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?
The InChIKey is UIEQAZANERIIID-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H27N7O2/c36-21-7-10-33(11-8-21)20-5-6-25-22(15-32-35(25)16-20)28(37)34-12-9-23-26(31-17-30-23)27(34)24-13-18-3-1-2-4-19(18)14-29-24/h1-6,13-17,21,27,36H,7-12H2,(H,30,31)/t27-/m1/s1.
What are the key properties of [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?
[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 has a molecular weight of 493.57 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 176863234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).