formic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C25H31N5O3 — CID 171708983

IUPACformic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NC1CC12CCN(Cc1ncc[nH]1)CC2)c1ccc2[nH]c3c(c2c1)CCCC3.O=CO
InChIInChI=1S/C24H29N5O.CH2O2/c30-23(16-5-6-20-18(13-16)17-3-1-2-4-19(17)27-20)28-21-14-24(21)7-11-29(12-8-24)15-22-25-9-10-26-22;2-1-3/h5-6,9-10,13,21,27H,1-4,7-8,11-12,14-15H2,(H,25,26)(H,28,30);1H,(H,2,3)
InChIKeyKGZYGPXZYAOGCX-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.26
Rot. Bonds4

About formic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

formic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 171708983) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is formic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID171708983
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Nameformic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NC1CC12CCN(Cc1ncc[nH]1)CC2)c1ccc2[nH]c3c(c2c1)CCCC3.O=CO
InChIInChI=1S/C24H29N5O.CH2O2/c30-23(16-5-6-20-18(13-16)17-3-1-2-4-19(17)27-20)28-21-14-24(21)7-11-29(12-8-24)15-22-25-9-10-26-22;2-1-3/h5-6,9-10,13,21,27H,1-4,7-8,11-12,14-15H2,(H,25,26)(H,28,30);1H,(H,2,3)
InChIKeyKGZYGPXZYAOGCX-UHFFFAOYSA-N
XLogP3.26
TPSA114.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 170505214
N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 55721169
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 77084054
N-[(1-benzylimidazol-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71926269
N-(2,2-dimethyloxan-4-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
CID 71754454
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 35377516
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 51185250
ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71929435

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of formic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 171708983) is formic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for formic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for formic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(NC1CC12CCN(Cc1ncc[nH]1)CC2)c1ccc2[nH]c3c(c2c1)CCCC3.O=CO.
What is the InChIKey of formic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is KGZYGPXZYAOGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O.CH2O2/c30-23(16-5-6-20-18(13-16)17-3-1-2-4-19(17)27-20)28-21-14-24(21)7-11-29(12-8-24)15-22-25-9-10-26-22;2-1-3/h5-6,9-10,13,21,27H,1-4,7-8,11-12,14-15H2,(H,25,26)(H,28,30);1H,(H,2,3).
What are the key properties of formic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
formic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.26, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[6-(1H-imidazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 171708983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).