5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine

C40H46N8O5 — CID 158054953

IUPAC5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine
SMILESCC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)N[C@H]4CCOC4)cc3c21.CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)O)cc3c21.N[C@H]1CCOC1
InChIInChI=1S/C20H22N4O2.C16H15N3O2.C4H9NO/c1-20(2)8-12-9-21-24-17(12)18-16(20)14-7-11(3-4-15(14)23-18)19(25)22-13-5-6-26-10-13;1-16(2)6-9-7-17-19-13(9)14-12(16)10-5-8(15(20)21)3-4-11(10)18-14;5-4-1-2-6-3-4/h3-4,7,9,13,23H,5-6,8,10H2,1-2H3,(H,21,24)(H,22,25);3-5,7,18H,6H2,1-2H3,(H,17,19)(H,20,21);4H,1-3,5H2/t13-;;4-/m0.0/s1
InChIKeyFJXWCIPVNXJWKS-JQABRQTOSA-N
MW718.86 g/mol
LogP5.73
Rot. Bonds3

About 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine

5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine (PubChem CID 158054953) has the molecular formula C40H46N8O5 and a molecular weight of 718.86 g/mol. Its IUPAC name is 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine
PubChem CID158054953
Molecular FormulaC40H46N8O5
Molecular Weight718.86 g/mol
Exact Mass718.36
IUPAC Name5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine
SMILESCC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)N[C@H]4CCOC4)cc3c21.CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)O)cc3c21.N[C@H]1CCOC1
InChIInChI=1S/C20H22N4O2.C16H15N3O2.C4H9NO/c1-20(2)8-12-9-21-24-17(12)18-16(20)14-7-11(3-4-15(14)23-18)19(25)22-13-5-6-26-10-13;1-16(2)6-9-7-17-19-13(9)14-12(16)10-5-8(15(20)21)3-4-11(10)18-14;5-4-1-2-6-3-4/h3-4,7,9,13,23H,5-6,8,10H2,1-2H3,(H,21,24)(H,22,25);3-5,7,18H,6H2,1-2H3,(H,17,19)(H,20,21);4H,1-3,5H2/t13-;;4-/m0.0/s1
InChIKeyFJXWCIPVNXJWKS-JQABRQTOSA-N
XLogP5.73
TPSA199.82 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 55.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine with MolForge

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Related Compounds

5-(3-benzylpyrrolidin-3-yl)-N-tert-butyl-1H-indole-2-carboxamide;5-(3-benzylpyrrolidin-3-yl)-1H-indazole;1-[5-(3-benzylpyrrolidin-3-yl)-1H-indol-2-yl]-2,2,2-trifluoroethanone;5-(3-benzylpyrrolidin-3-yl)-N-methyl-1H-indole-2-carboxamide;N-[4-(3-benzylpyrrolidin-3-yl)phenyl]acetamide;(1R)-2-[(3S)-3-(1H-indol-5-yl)pyrrolidin-3-yl]-1-phenylethanol;methyl 5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxylate
CID 160155175
5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid
CID 136609405
3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid
CID 136609413
5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
CID 136609416
5,5-dimethyl-N-(oxolan-3-yl)-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
CID 136961296
ethane;methyl 3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylate;N-(1-methylpiperidin-4-yl)-3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxamide
CID 144403381
N-cyclopentylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;pyridine-2-carboxylic acid
CID 157084854
lithium;ethyl (2S)-2-amino-9-(5,6,7,8-tetrahydroquinolin-7-ylium-2-yl)nonanoate;ethyl (2S)-2-(1H-indazole-6-carbonylamino)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoate;(2S)-2-(1H-indazole-6-carbonylamino)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;3H-isoindole-5-carboxylic acid;methanol;oxolane;sulfane;hydroxide
CID 157134988
4-[1-(4-fluorophenyl)-2-[1-(hydroxymethyl)cyclobutyl]-5H-pyrrolo[3,4-f]indol-3-yl]benzoic acid;4-[5-(4-fluorophenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]benzoic acid;5-[4-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]phenyl]imidazolidine-2,4-dione
CID 157140594
7-bromo-3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane];methyl 3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylate;3'-methylspiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid
CID 157206452
(3R)-oxolan-3-amine;5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[(3R)-oxolan-3-yl]-6,9-dihydrocarbazole-3-carboxamide
CID 157367962
methyl 3-formyl-2H-indazole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 3-(morpholin-4-ylmethyl)-2H-indazole-5-carboxylate;3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde;[3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol
CID 157603730

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine?
The IUPAC name of 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine (CID 158054953) is 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine.
What is the SMILES notation for 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine?
The canonical SMILES for 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine is CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)N[C@H]4CCOC4)cc3c21.CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)O)cc3c21.N[C@H]1CCOC1.
What is the InChIKey of 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine?
The InChIKey is FJXWCIPVNXJWKS-JQABRQTOSA-N. The full InChI is InChI=1S/C20H22N4O2.C16H15N3O2.C4H9NO/c1-20(2)8-12-9-21-24-17(12)18-16(20)14-7-11(3-4-15(14)23-18)19(25)22-13-5-6-26-10-13;1-16(2)6-9-7-17-19-13(9)14-12(16)10-5-8(15(20)21)3-4-11(10)18-14;5-4-1-2-6-3-4/h3-4,7,9,13,23H,5-6,8,10H2,1-2H3,(H,21,24)(H,22,25);3-5,7,18H,6H2,1-2H3,(H,17,19)(H,20,21);4H,1-3,5H2/t13-;;4-/m0.0/s1.
What are the key properties of 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine?
5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine has a molecular weight of 718.86 g/mol, XLogP of 5.73, 3 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid;5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;(3S)-oxolan-3-amine is sourced from PubChem (CID 158054953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).