N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C21H25N5O3 — CID 118621383

IUPACN-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCc1ncoc1C(=O)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1
InChIInChI=1S/C21H25N5O3/c1-14-18(29-13-24-14)19(27)25-6-3-21(4-7-25)8-17(21)10-23-20(28)26-11-15-2-5-22-9-16(15)12-26/h2,5,9,13,17H,3-4,6-8,10-12H2,1H3,(H,23,28)
InChIKeyCGULWQLYFOGOOV-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.35
Rot. Bonds3

About N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 118621383) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID118621383
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCc1ncoc1C(=O)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1
InChIInChI=1S/C21H25N5O3/c1-14-18(29-13-24-14)19(27)25-6-3-21(4-7-25)8-17(21)10-23-20(28)26-11-15-2-5-22-9-16(15)12-26/h2,5,9,13,17H,3-4,6-8,10-12H2,1H3,(H,23,28)
InChIKeyCGULWQLYFOGOOV-UHFFFAOYSA-N
XLogP2.35
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 118621383) is N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is Cc1ncoc1C(=O)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1.
What is the InChIKey of N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is CGULWQLYFOGOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-18(29-13-24-14)19(27)25-6-3-21(4-7-25)8-17(21)10-23-20(28)26-11-15-2-5-22-9-16(15)12-26/h2,5,9,13,17H,3-4,6-8,10-12H2,1H3,(H,23,28).
What are the key properties of N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 118621383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).