1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone

C31H35N5O2 — CID 153185408

IUPAC1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone
SMILESCC(C)N1CCC(Oc2cc(C(=O)Cc3cc4cc(-c5cnc6n5CCCC6)ccc4cn3)ccn2)CC1
InChIInChI=1S/C31H35N5O2/c1-21(2)35-13-9-27(10-14-35)38-31-17-23(8-11-32-31)29(37)18-26-16-25-15-22(6-7-24(25)19-33-26)28-20-34-30-5-3-4-12-36(28)30/h6-8,11,15-17,19-21,27H,3-5,9-10,12-14,18H2,1-2H3
InChIKeyWGZCQXDJCMFBFI-UHFFFAOYSA-N
MW509.65 g/mol
LogP5.51
Rot. Bonds7

About 1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone

1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone (PubChem CID 153185408) has the molecular formula C31H35N5O2 and a molecular weight of 509.65 g/mol. Its IUPAC name is 1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone
PubChem CID153185408
Molecular FormulaC31H35N5O2
Molecular Weight509.65 g/mol
Exact Mass509.28
IUPAC Name1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone
SMILESCC(C)N1CCC(Oc2cc(C(=O)Cc3cc4cc(-c5cnc6n5CCCC6)ccc4cn3)ccn2)CC1
InChIInChI=1S/C31H35N5O2/c1-21(2)35-13-9-27(10-14-35)38-31-17-23(8-11-32-31)29(37)18-26-16-25-15-22(6-7-24(25)19-33-26)28-20-34-30-5-3-4-12-36(28)30/h6-8,11,15-17,19-21,27H,3-5,9-10,12-14,18H2,1-2H3
InChIKeyWGZCQXDJCMFBFI-UHFFFAOYSA-N
XLogP5.51
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone with MolForge

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Related Compounds

1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
5-(8-Morpholino-2-((quinolin-2-yloxy)methyl)imidazo[1,2-a]pyrazin-5-yl)picolinamide
CID 86345856
N-(3-(2-methyl-imidazo[1,2-a] pyridin-3-yl) benzyl)-5H-chromeno[3,4-c] pyridine-8-carboxamide
CID 121363507
N-(3-(imidazo[1,2-a] pyridin-3-yl)benzyl)-5H-chromeno[3,4-c] pyridine-8-carboxamide
CID 121363513
N-(3-(5,6,7,8-tetra-hydroimidazo[1,2-a] pyrazin-3-yl)benzyl)-5H-chromeno[3,4-c] pyridine-8-carboxamide
CID 121363816
4-propan-2-yloxy-N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]benzamide
CID 132056744
N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-propan-2-yloxypyridine-4-carboxamide
CID 132056786
2-(1-propan-2-ylpiperidin-4-yl)oxy-N-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 132056864
N-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-4-piperidin-4-yloxybenzamide
CID 132057258
tert-butyl 3-(3-((5H-chromeno[3,4-c] pyridine-8-carboxamido) methyl)phenyl)-5,6-
CID 145866463
2-Ethyl-6-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 156011320
1-[3-[7-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 147320237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone (CID 153185408) is 1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone is CC(C)N1CCC(Oc2cc(C(=O)Cc3cc4cc(-c5cnc6n5CCCC6)ccc4cn3)ccn2)CC1.
What is the InChIKey of 1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone?
The InChIKey is WGZCQXDJCMFBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O2/c1-21(2)35-13-9-27(10-14-35)38-31-17-23(8-11-32-31)29(37)18-26-16-25-15-22(6-7-24(25)19-33-26)28-20-34-30-5-3-4-12-36(28)30/h6-8,11,15-17,19-21,27H,3-5,9-10,12-14,18H2,1-2H3.
What are the key properties of 1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone?
1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone has a molecular weight of 509.65 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propan-2-ylpiperidin-4-yl)oxy-4-pyridinyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 153185408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).