5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide

C24H27N5O4 — CID 167749623

IUPAC5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC1CC2(CCOCC2)CN1C(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H27N5O4/c1-15-19(13-26-28-15)21(30)25-12-17-11-24(6-8-33-9-7-24)14-29(17)23(32)20-10-16-4-2-3-5-18(16)22(31)27-20/h2-5,10,13,17H,6-9,11-12,14H2,1H3,(H,25,30)(H,26,28)(H,27,31)
InChIKeyAQUQKCSDFFQUKJ-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.00
Rot. Bonds4

About 5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide

5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 167749623) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID167749623
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC1CC2(CCOCC2)CN1C(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H27N5O4/c1-15-19(13-26-28-15)21(30)25-12-17-11-24(6-8-33-9-7-24)14-29(17)23(32)20-10-16-4-2-3-5-18(16)22(31)27-20/h2-5,10,13,17H,6-9,11-12,14H2,1H3,(H,25,30)(H,26,28)(H,27,31)
InChIKeyAQUQKCSDFFQUKJ-UHFFFAOYSA-N
XLogP2.00
TPSA120.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 136524239
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide
CID 86797933
(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 92579896
(3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 92579897
3-({2'-Fluoro-[1,1'-biphenyl]-2-YL}methyl)-N-isopropyl-1-(1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 110231014
5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 127445285
2-{[3-(4-Fluorophenyl)-1H-pyrazol-4-YL]carbonyl}-9-oxa-2-azaspiro[5.5]undecane-1-carboxamide
CID 137892558
4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 142995019
3-(2-fluorophenyl)-N-[(3R,7S,8aS)-3-methylhexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1H-pyrazole-4-carboxamide formate
CID 155502236
N-[[2-(3-amino-5-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 167830635
4-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]phthalazin-1-one
CID 56711930
2-(1-methylpiperidin-4-yl)-3-(1H-pyrazol-5-yl)isoquinolin-1-one
CID 177698302

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide (CID 167749623) is 5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCC1CC2(CCOCC2)CN1C(=O)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of 5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is AQUQKCSDFFQUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-15-19(13-26-28-15)21(30)25-12-17-11-24(6-8-33-9-7-24)14-29(17)23(32)20-10-16-4-2-3-5-18(16)22(31)27-20/h2-5,10,13,17H,6-9,11-12,14H2,1H3,(H,25,30)(H,26,28)(H,27,31).
What are the key properties of 5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-(1-oxo-2H-isoquinoline-3-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167749623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).