1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone

C32H37N7O2 — CID 147851965

IUPAC1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
SMILESCn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCC6(CC5)CNC6)c4)cc3c2)c1CN1CCOCC1
InChIInChI=1S/C32H37N7O2/c1-37-29(20-38-10-12-41-13-11-38)28(19-36-37)23-2-3-25-18-35-27(15-26(25)14-23)17-30(40)24-4-7-34-31(16-24)39-8-5-32(6-9-39)21-33-22-32/h2-4,7,14-16,18-19,33H,5-6,8-13,17,20-22H2,1H3
InChIKeyHUZMBRLEUHCBED-UHFFFAOYSA-N
MW551.70 g/mol
LogP3.48
Rot. Bonds7

About 1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone

1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone (PubChem CID 147851965) has the molecular formula C32H37N7O2 and a molecular weight of 551.70 g/mol. Its IUPAC name is 1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
PubChem CID147851965
Molecular FormulaC32H37N7O2
Molecular Weight551.70 g/mol
Exact Mass551.30
IUPAC Name1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
SMILESCn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCC6(CC5)CNC6)c4)cc3c2)c1CN1CCOCC1
InChIInChI=1S/C32H37N7O2/c1-37-29(20-38-10-12-41-13-11-38)28(19-36-37)23-2-3-25-18-35-27(15-26(25)14-23)17-30(40)24-4-7-34-31(16-24)39-8-5-32(6-9-39)21-33-22-32/h2-4,7,14-16,18-19,33H,5-6,8-13,17,20-22H2,1H3
InChIKeyHUZMBRLEUHCBED-UHFFFAOYSA-N
XLogP3.48
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.70
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone with MolForge

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Related Compounds

[5-Amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone
CID 118660867
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-2-oxoacetamide
CID 16734878
[5-Amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone
CID 118660788
2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 132056654
2-Tert-butyl-1'-[1-(ethylamino)isoquinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56968055
US8653087, III-372
CID 68036143
2-Tert-butyl-1'-[1-(cyclobutylamino)isoquinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91928577
2-Tert-butyl-1'-[1-(propylamino)isoquinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91928578
2-Tert-butyl-1'-[1-(2-methoxyethylamino)isoquinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91928579
2-Tert-butyl-1'-[1-(oxetan-3-ylamino)isoquinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91928580
1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]piperidine-4-carboxamide
CID 132056290
N-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 132056739

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone?
The IUPAC name of 1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone (CID 147851965) is 1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone is Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCC6(CC5)CNC6)c4)cc3c2)c1CN1CCOCC1.
What is the InChIKey of 1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone?
The InChIKey is HUZMBRLEUHCBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O2/c1-37-29(20-38-10-12-41-13-11-38)28(19-36-37)23-2-3-25-18-35-27(15-26(25)14-23)17-30(40)24-4-7-34-31(16-24)39-8-5-32(6-9-39)21-33-22-32/h2-4,7,14-16,18-19,33H,5-6,8-13,17,20-22H2,1H3.
What are the key properties of 1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone?
1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone has a molecular weight of 551.70 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,7-diazaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone is sourced from PubChem (CID 147851965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).