3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one

C27H26N4O3 — CID 26226543

IUPAC3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one
SMILESCn1nc(C(=O)N2CCc3ccccc3C2)c2c1CCN(Cc1coc3ccccc3c1=O)C2
InChIInChI=1S/C27H26N4O3/c1-29-23-11-12-30(14-20-17-34-24-9-5-4-8-21(24)26(20)32)16-22(23)25(28-29)27(33)31-13-10-18-6-2-3-7-19(18)15-31/h2-9,17H,10-16H2,1H3
InChIKeyFNWIVZBOCBGBOQ-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.28
Rot. Bonds3

About 3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one

3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one (PubChem CID 26226543) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one.

Molecular Properties

Compound Name3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one
PubChem CID26226543
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one
SMILESCn1nc(C(=O)N2CCc3ccccc3C2)c2c1CCN(Cc1coc3ccccc3c1=O)C2
InChIInChI=1S/C27H26N4O3/c1-29-23-11-12-30(14-20-17-34-24-9-5-4-8-21(24)26(20)32)16-22(23)25(28-29)27(33)31-13-10-18-6-2-3-7-19(18)15-31/h2-9,17H,10-16H2,1H3
InChIKeyFNWIVZBOCBGBOQ-UHFFFAOYSA-N
XLogP3.28
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one with MolForge

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Related Compounds

N-[5-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-2-yl]acetamide
CID 26219968
1-methyl-N,5-bis(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118933303
2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861400
2-(furan-2-yl)-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861405
2-(1-benzofuran-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522440
[5-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 45160032
3,4-dihydro-1H-isoquinolin-2-yl-[(5R)-1-methyl-5-(2-propan-2-yloxyethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26215160
3,4-dihydro-1H-isoquinolin-2-yl-[1-methyl-5-(2-propan-2-yloxyethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45165339
3-[(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]chromen-4-one
CID 126464747
3,4-dihydro-1H-isoquinolin-2-yl-(4-iodo-1-methylpyrazol-3-yl)methanone
CID 5087204
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylpyridazin-3-one
CID 42443203
7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681146

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one?
The IUPAC name of 3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one (CID 26226543) is 3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one.
What is the SMILES notation for 3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one?
The canonical SMILES for 3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one is Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CCN(Cc1coc3ccccc3c1=O)C2.
What is the InChIKey of 3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one?
The InChIKey is FNWIVZBOCBGBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-29-23-11-12-30(14-20-17-34-24-9-5-4-8-21(24)26(20)32)16-22(23)25(28-29)27(33)31-13-10-18-6-2-3-7-19(18)15-31/h2-9,17H,10-16H2,1H3.
What are the key properties of 3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one?
3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one has a molecular weight of 454.53 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]chromen-4-one is sourced from PubChem (CID 26226543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).