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

C22H22N8O2 — CID 136609417

IUPAC15,15-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
SMILESCC1(C)c2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ncn[nH]5)C4)cc3c21
InChIInChI=1S/C22H22N8O2/c1-22(2)14-8-24-28-17(14)18-16(22)13-7-11(3-4-15(13)27-18)20(31)26-12-5-6-30(9-12)21(32)19-23-10-25-29-19/h3-4,7-8,10,12,27H,5-6,9H2,1-2H3,(H,24,28)(H,26,31)(H,23,25,29)
InChIKeyLQOPZGWCRBEZQK-UHFFFAOYSA-N
MW430.47 g/mol
LogP1.96
Rot. Bonds3

About 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

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 (PubChem CID 136609417) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15,15-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
PubChem CID136609417
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name15,15-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
SMILESCC1(C)c2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ncn[nH]5)C4)cc3c21
InChIInChI=1S/C22H22N8O2/c1-22(2)14-8-24-28-17(14)18-16(22)13-7-11(3-4-15(13)27-18)20(31)26-12-5-6-30(9-12)21(32)19-23-10-25-29-19/h3-4,7-8,10,12,27H,5-6,9H2,1-2H3,(H,24,28)(H,26,31)(H,23,25,29)
InChIKeyLQOPZGWCRBEZQK-UHFFFAOYSA-N
XLogP1.96
TPSA135.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 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 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
5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
CID 136609416
N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid
CID 159311915
15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide
CID 144534986
tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 71276410
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
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide
CID 22933430
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-5-carboxamide
CID 121279593
N-(1-methylpiperidin-3-yl)-1H-indazole-6-carboxamide
CID 55133135
3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide
CID 96997991
N-(1-cyclopentylpiperidin-3-yl)-1H-indazole-5-carboxamide
CID 22933774

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cn[nH]c2-c2[nH]c3ccc(C(=O)NC4CCN(C(=O)c5ncn[nH]5)C4)cc3c21.
What is the InChIKey of 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?
The InChIKey is LQOPZGWCRBEZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-22(2)14-8-24-28-17(14)18-16(22)13-7-11(3-4-15(13)27-18)20(31)26-12-5-6-30(9-12)21(32)19-23-10-25-29-19/h3-4,7-8,10,12,27H,5-6,9H2,1-2H3,(H,24,28)(H,26,31)(H,23,25,29).
What are the key properties of 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?
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 has a molecular weight of 430.47 g/mol, XLogP of 1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 136609417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).