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

C23H32N4O3 — CID 118621411

IUPACN-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(CC1CCOCC1)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1
InChIInChI=1S/C23H32N4O3/c28-21(11-17-2-9-30-10-3-17)26-7-4-23(5-8-26)12-20(23)14-25-22(29)27-15-18-1-6-24-13-19(18)16-27/h1,6,13,17,20H,2-5,7-12,14-16H2,(H,25,29)
InChIKeyDKTPAFWDLCSEAW-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.55
Rot. Bonds4

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

N-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 118621411) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID118621411
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(CC1CCOCC1)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1
InChIInChI=1S/C23H32N4O3/c28-21(11-17-2-9-30-10-3-17)26-7-4-23(5-8-26)12-20(23)14-25-22(29)27-15-18-1-6-24-13-19(18)16-27/h1,6,13,17,20H,2-5,7-12,14-16H2,(H,25,29)
InChIKeyDKTPAFWDLCSEAW-UHFFFAOYSA-N
XLogP2.55
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

tert-butyl (1S)-1-[[([1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl]carbonyl) amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 121499158
N-([6-[2-(4-methyloxan-4-yl)acetyl]-6-azaspiro[2.5]octan-1-yl]methyl)-1H,2H,3H-pyrrolo[3,4-c]pyridine-2-carboxamide
CID 71711804
3-methyloxetan-3-yl (1S)-1-[[([1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl]carbonyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 90012001
(3-Methyloxetan-3-yl) 2-[[(1,1,3,3-tetradeuteriopyrrolo[3,4-c]pyridine-2-carbonyl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 118621276
Tert-butyl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 71715127
Propan-2-yl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 89793388
Ethyl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 90012693
N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621285
N-[[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621295
(1-Methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 118621302
N-[[6-(4,4,4-trifluorobutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621308
N-[[6-[3-(oxan-4-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621309

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 118621411) is N-[[6-[2-(oxan-4-yl)acetyl]-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-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(CC1CCOCC1)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1.
What is the InChIKey of N-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is DKTPAFWDLCSEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c28-21(11-17-2-9-30-10-3-17)26-7-4-23(5-8-26)12-20(23)14-25-22(29)27-15-18-1-6-24-13-19(18)16-27/h1,6,13,17,20H,2-5,7-12,14-16H2,(H,25,29).
What are the key properties of N-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(oxan-4-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 118621411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).