3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide

C29H33N7O2 — CID 137083821

IUPAC3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide
SMILESCCCC(C=C(C)CC(=O)c1ncn[nH]1)NC(=O)c1ccc2[nH]c3c(c2c1)C1(Cc2cn[nH]c2-3)CC(C)C1
InChIInChI=1S/C29H33N7O2/c1-4-5-20(8-16(2)9-23(37)27-30-15-32-36-27)33-28(38)18-6-7-22-21(10-18)24-26(34-22)25-19(14-31-35-25)13-29(24)11-17(3)12-29/h6-8,10,14-15,17,20,34H,4-5,9,11-13H2,1-3H3,(H,31,35)(H,33,38)(H,30,32,36)
InChIKeyBCOFRIMEGGKUSG-UHFFFAOYSA-N
MW511.63 g/mol
LogP5.02
Rot. Bonds8

About 3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide

3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide (PubChem CID 137083821) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is 3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide.

Molecular Properties

Compound Name3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide
PubChem CID137083821
Molecular FormulaC29H33N7O2
Molecular Weight511.63 g/mol
Exact Mass511.27
IUPAC Name3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide
SMILESCCCC(C=C(C)CC(=O)c1ncn[nH]1)NC(=O)c1ccc2[nH]c3c(c2c1)C1(Cc2cn[nH]c2-3)CC(C)C1
InChIInChI=1S/C29H33N7O2/c1-4-5-20(8-16(2)9-23(37)27-30-15-32-36-27)33-28(38)18-6-7-22-21(10-18)24-26(34-22)25-19(14-31-35-25)13-29(24)11-17(3)12-29/h6-8,10,14-15,17,20,34H,4-5,9,11-13H2,1-3H3,(H,31,35)(H,33,38)(H,30,32,36)
InChIKeyBCOFRIMEGGKUSG-UHFFFAOYSA-N
XLogP5.02
TPSA132.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 55.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide with MolForge

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Related Compounds

Pf-05175157
CID 52934180
4-(1-methylpyrazol-4-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155671005
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 155671006
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 155671013
N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
CID 164618063
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 164627789
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CID 50939621
3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide
CID 57411846
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-tert-butyl-1H-indol-2-yl)methanone
CID 66555582
3-imidazo[1,2-a]pyridin-6-yl-N-[3-(pyrazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide
CID 67983959
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4,6-ditert-butyl-1H-indol-2-yl)methanone
CID 68004761
5-[2-[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazole-4-carbonyl]-1H-indol-5-yl]-1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide?
The IUPAC name of 3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide (CID 137083821) is 3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide.
What is the SMILES notation for 3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide?
The canonical SMILES for 3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide is CCCC(C=C(C)CC(=O)c1ncn[nH]1)NC(=O)c1ccc2[nH]c3c(c2c1)C1(Cc2cn[nH]c2-3)CC(C)C1.
What is the InChIKey of 3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide?
The InChIKey is BCOFRIMEGGKUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-4-5-20(8-16(2)9-23(37)27-30-15-32-36-27)33-28(38)18-6-7-22-21(10-18)24-26(34-22)25-19(14-31-35-25)13-29(24)11-17(3)12-29/h6-8,10,14-15,17,20,34H,4-5,9,11-13H2,1-3H3,(H,31,35)(H,33,38)(H,30,32,36).
What are the key properties of 3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide?
3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 5.02, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methyl-N-[6-methyl-8-oxo-8-(1H-1,2,4-triazol-5-yl)oct-5-en-4-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide is sourced from PubChem (CID 137083821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).