1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole

C21H17N5 — CID 90915590

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
SMILESCc1n[nH]c(C)c1-c1nc(-c2cccnc2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C21H17N5/c1-12-19(13(2)26-25-12)21-20-16(15-7-3-4-8-17(15)23-20)10-18(24-21)14-6-5-9-22-11-14/h3-11,23H,1-2H3,(H,25,26)
InChIKeyCUCFERPUWDGWHK-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.79
Rot. Bonds2

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole (PubChem CID 90915590) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
PubChem CID90915590
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
SMILESCc1n[nH]c(C)c1-c1nc(-c2cccnc2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C21H17N5/c1-12-19(13(2)26-25-12)21-20-16(15-7-3-4-8-17(15)23-20)10-18(24-21)14-6-5-9-22-11-14/h3-11,23H,1-2H3,(H,25,26)
InChIKeyCUCFERPUWDGWHK-UHFFFAOYSA-N
XLogP4.79
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole with MolForge

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Related Compounds

4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione
CID 101095307
1-(3-pyridin-3-ylphenyl)-9H-carbazole
CID 154284139
2-pyridin-3-yl-9H-carbazole
CID 175799429
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 72879530
3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one
CID 118156338
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2325178
1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole
CID 175790323
4-methyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine
CID 144764987
2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 2771714
3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 136942394
4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44548154
carbon dioxide;ethyl 9-[(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)methyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 1-pyridin-3-yl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 161296377

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole (CID 90915590) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole is Cc1n[nH]c(C)c1-c1nc(-c2cccnc2)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole?
The InChIKey is CUCFERPUWDGWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-12-19(13(2)26-25-12)21-20-16(15-7-3-4-8-17(15)23-20)10-18(24-21)14-6-5-9-22-11-14/h3-11,23H,1-2H3,(H,25,26).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole has a molecular weight of 339.40 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 90915590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).