N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C24H25N7O3 — CID 167893388

IUPACN-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NCC1CC2(CCOCC2)CN1C(=O)c1ccc2n[nH]nc2c1)c1cncc2[nH]ccc12
InChIInChI=1S/C24H25N7O3/c32-22(18-12-25-13-21-17(18)3-6-26-21)27-11-16-10-24(4-7-34-8-5-24)14-31(16)23(33)15-1-2-19-20(9-15)29-30-28-19/h1-3,6,9,12-13,16,26H,4-5,7-8,10-11,14H2,(H,27,32)(H,28,29,30)
InChIKeyJGDSYOIFFSDNFA-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.28
Rot. Bonds4

About N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 167893388) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID167893388
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC NameN-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NCC1CC2(CCOCC2)CN1C(=O)c1ccc2n[nH]nc2c1)c1cncc2[nH]ccc12
InChIInChI=1S/C24H25N7O3/c32-22(18-12-25-13-21-17(18)3-6-26-21)27-11-16-10-24(4-7-34-8-5-24)14-31(16)23(33)15-1-2-19-20(9-15)29-30-28-19/h1-3,6,9,12-13,16,26H,4-5,7-8,10-11,14H2,(H,27,32)(H,28,29,30)
InChIKeyJGDSYOIFFSDNFA-UHFFFAOYSA-N
XLogP2.28
TPSA128.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 166423499
N-[[2-(4-chloro-3-hydroxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-5-carboxamide
CID 166328201
N-[[2-(6-fluoro-2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]thiadiazole-5-carboxamide
CID 167805321
N-[[2-[3-fluoro-4-(hydroxymethyl)benzoyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1-methyl-6-oxopyrimidine-5-carboxamide
CID 166434529
N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide
CID 167759370
N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide
CID 166329170
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
N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide
CID 166329181
N-[[6-(6-fluoro-2H-benzotriazole-5-carbonyl)-6-azaspiro[3.4]octan-7-yl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166328183
N-[4-[3-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carbonyl]phenyl]-N-methylprop-2-enamide
CID 166414247
1-methyl-N-[[4-methyl-1-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 166397917
N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-5-(difluoromethyl)-1H-pyrazole-3-carboxamide
CID 131915542

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 167893388) is N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is O=C(NCC1CC2(CCOCC2)CN1C(=O)c1ccc2n[nH]nc2c1)c1cncc2[nH]ccc12.
What is the InChIKey of N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is JGDSYOIFFSDNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c32-22(18-12-25-13-21-17(18)3-6-26-21)27-11-16-10-24(4-7-34-8-5-24)14-31(16)23(33)15-1-2-19-20(9-15)29-30-28-19/h1-3,6,9,12-13,16,26H,4-5,7-8,10-11,14H2,(H,27,32)(H,28,29,30).
What are the key properties of N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 167893388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).