6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole

C21H17N5 — CID 123980413

IUPAC6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
SMILESCc1c(-c2ccc3[nH]c4cnc(-c5cccnc5)cc4c3c2)cnn1C
InChIInChI=1S/C21H17N5/c1-13-18(11-24-26(13)2)14-5-6-19-16(8-14)17-9-20(23-12-21(17)25-19)15-4-3-7-22-10-15/h3-12,25H,1-2H3
InChIKeyGGDPFKUSXLEOEE-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.49
Rot. Bonds2

About 6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole

6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole (PubChem CID 123980413) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
PubChem CID123980413
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
SMILESCc1c(-c2ccc3[nH]c4cnc(-c5cccnc5)cc4c3c2)cnn1C
InChIInChI=1S/C21H17N5/c1-13-18(11-24-26(13)2)14-5-6-19-16(8-14)17-9-20(23-12-21(17)25-19)15-4-3-7-22-10-15/h3-12,25H,1-2H3
InChIKeyGGDPFKUSXLEOEE-UHFFFAOYSA-N
XLogP4.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44548154
3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole
CID 53244604
12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 144661360
4-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)phenol
CID 58354688
12-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58354739
13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 44547846
12-piperidin-1-yl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58354665
3-methyl-5-[1-methyl-4-(2-pyridin-3-yl-4-pyridinyl)pyrazol-5-yl]phenol
CID 155805804
5-(5-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 145254746
6-methoxy-5-(4-methyl-1,4-diazepan-1-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
CID 67235616
6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
CID 67235844
12-fluoro-13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 58354691

Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole (CID 123980413) is 6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole is Cc1c(-c2ccc3[nH]c4cnc(-c5cccnc5)cc4c3c2)cnn1C.
What is the InChIKey of 6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole?
The InChIKey is GGDPFKUSXLEOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-13-18(11-24-26(13)2)14-5-6-19-16(8-14)17-9-20(23-12-21(17)25-19)15-4-3-7-22-10-15/h3-12,25H,1-2H3.
What are the key properties of 6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole?
6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole has a molecular weight of 339.40 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethylpyrazol-4-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 123980413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).