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

C24H27N7O3 — CID 136623163

IUPACN-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCc1[nH]nc(C(=O)N2CCC3(CC2)CC3CNC(=O)N2C=C3C=CNC=C3C2)c1-c1ccno1
InChIInChI=1S/C24H27N7O3/c1-15-20(19-3-7-27-34-19)21(29-28-15)22(32)30-8-4-24(5-9-30)10-18(24)12-26-23(33)31-13-16-2-6-25-11-17(16)14-31/h2-3,6-7,11,13,18,25H,4-5,8-10,12,14H2,1H3,(H,26,33)(H,28,29)
InChIKeyAAZPWYFRGWWBDS-UHFFFAOYSA-N
MW461.53 g/mol
LogP2.53
Rot. Bonds4

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

N-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 136623163) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID136623163
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC NameN-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCc1[nH]nc(C(=O)N2CCC3(CC2)CC3CNC(=O)N2C=C3C=CNC=C3C2)c1-c1ccno1
InChIInChI=1S/C24H27N7O3/c1-15-20(19-3-7-27-34-19)21(29-28-15)22(32)30-8-4-24(5-9-30)10-18(24)12-26-23(33)31-13-16-2-6-25-11-17(16)14-31/h2-3,6-7,11,13,18,25H,4-5,8-10,12,14H2,1H3,(H,26,33)(H,28,29)
InChIKeyAAZPWYFRGWWBDS-UHFFFAOYSA-N
XLogP2.53
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 90012423
(1-acetamido-2-methylpropan-2-yl) 2-[(3,5-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 90012701
N-[[6-[4-(4-methylpiperazin-1-yl)benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 90012637
ethyl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 90012693
tert-butyl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 71715127
tert-butyl (2S)-2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 121499158
N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621385
N-[[6-(5-cyclopropyl-2H-pyrrole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 160638884
N-[[6-(4-methylpyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012576
(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492507
N-[[6-[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71715865
5-fluoro-N-(spiro[2.2]pentan-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 126790764

Frequently Asked Questions

What is the IUPAC name of N-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 136623163) is N-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is Cc1[nH]nc(C(=O)N2CCC3(CC2)CC3CNC(=O)N2C=C3C=CNC=C3C2)c1-c1ccno1.
What is the InChIKey of N-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is AAZPWYFRGWWBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-15-20(19-3-7-27-34-19)21(29-28-15)22(32)30-8-4-24(5-9-30)10-18(24)12-26-23(33)31-13-16-2-6-25-11-17(16)14-31/h2-3,6-7,11,13,18,25H,4-5,8-10,12,14H2,1H3,(H,26,33)(H,28,29).
What are the key properties of N-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 136623163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).