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

C20H22N4O2 — CID 136609416

IUPAC5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
SMILESCC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)N[C@H]4CCOC4)cc3c21
InChIInChI=1S/C20H22N4O2/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/h3-4,7,9,13,23H,5-6,8,10H2,1-2H3,(H,21,24)(H,22,25)/t13-/m0/s1
InChIKeyBCAUQCRQYHXAIA-ZDUSSCGKSA-N
MW350.42 g/mol
LogP2.91
Rot. Bonds2

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

5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide (PubChem CID 136609416) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide.

Molecular Properties

Compound Name5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
PubChem CID136609416
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
SMILESCC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)N[C@H]4CCOC4)cc3c21
InChIInChI=1S/C20H22N4O2/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/h3-4,7,9,13,23H,5-6,8,10H2,1-2H3,(H,21,24)(H,22,25)/t13-/m0/s1
InChIKeyBCAUQCRQYHXAIA-ZDUSSCGKSA-N
XLogP2.91
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

5,5-dimethyl-N-pyrrolidin-3-yl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
CID 136609410
15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide
CID 136609417
N-(oxolan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carboxamide
CID 171396841
N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 22933507
N-(oxolan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 80712536
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide
CID 127984291
5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide
CID 144535029
N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135516734
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate
CID 159958266
4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride
CID 171361833
3-(oxolan-3-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide
CID 127684249

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide?
The IUPAC name of 5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide (CID 136609416) is 5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide.
What is the SMILES notation for 5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide?
The canonical SMILES for 5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide is CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)N[C@H]4CCOC4)cc3c21.
What is the InChIKey of 5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide?
The InChIKey is BCAUQCRQYHXAIA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22N4O2/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/h3-4,7,9,13,23H,5-6,8,10H2,1-2H3,(H,21,24)(H,22,25)/t13-/m0/s1.
What are the key properties of 5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide?
5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide is sourced from PubChem (CID 136609416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).