[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone

C22H25N5O — CID 56911536

IUPAC[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)cnc21
InChIInChI=1S/C22H25N5O/c1-25-15-24-20-12-18(13-23-21(20)25)22(28)26-10-7-19(8-11-26)27-9-6-16-4-2-3-5-17(16)14-27/h2-5,12-13,15,19H,6-11,14H2,1H3
InChIKeySHFNUKBOUHJVTF-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.63
Rot. Bonds2

About [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone

[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone (PubChem CID 56911536) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
PubChem CID56911536
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)cnc21
InChIInChI=1S/C22H25N5O/c1-25-15-24-20-12-18(13-23-21(20)25)22(28)26-10-7-19(8-11-26)27-9-6-16-4-2-3-5-17(16)14-27/h2-5,12-13,15,19H,6-11,14H2,1H3
InChIKeySHFNUKBOUHJVTF-UHFFFAOYSA-N
XLogP2.63
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,1,3-benzoxadiazol-5-yl-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
CID 56908568
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 70711968
(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 75499937
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone
CID 119103450
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125129968
1-[5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]pyrimidin-2-yl]-3-(hydroxymethyl)azetidine-3-carboxylic acid
CID 154679423
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 95726170
[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176502306
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 118183032
[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 175644434
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
CID 128709518

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone (CID 56911536) is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone is Cn1cnc2cc(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)cnc21.
What is the InChIKey of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is SHFNUKBOUHJVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-25-15-24-20-12-18(13-23-21(20)25)22(28)26-10-7-19(8-11-26)27-9-6-16-4-2-3-5-17(16)14-27/h2-5,12-13,15,19H,6-11,14H2,1H3.
What are the key properties of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 375.48 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 56911536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).