6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole

C20H19N5 — CID 167654537

IUPAC6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole
SMILESCN1Cc2nn(Cc3cccnc3)c(-c3ccc4c(c3)N=CC4)c2C1
InChIInChI=1S/C20H19N5/c1-24-12-17-19(13-24)23-25(11-14-3-2-7-21-10-14)20(17)16-5-4-15-6-8-22-18(15)9-16/h2-5,7-10H,6,11-13H2,1H3
InChIKeyNNEIACUQFJICKM-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.20
Rot. Bonds3

About 6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole

6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole (PubChem CID 167654537) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole.

Molecular Properties

Compound Name6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole
PubChem CID167654537
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole
SMILESCN1Cc2nn(Cc3cccnc3)c(-c3ccc4c(c3)N=CC4)c2C1
InChIInChI=1S/C20H19N5/c1-24-12-17-19(13-24)23-25(11-14-3-2-7-21-10-14)20(17)16-5-4-15-6-8-22-18(15)9-16/h2-5,7-10H,6,11-13H2,1H3
InChIKeyNNEIACUQFJICKM-UHFFFAOYSA-N
XLogP3.20
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[7,7,10,10-tetramethyl-2-(pyridin-3-ylmethyl)-4,5,8,9-tetrahydronaphtho[2,3-g]indazol-3-yl]benzoic acid
CID 10480794
5-methyl-2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 3161320
3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 175732632
2-pyridin-4-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931692
2,9-dimethyl-6-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydroazepino[4,3-b]indole
CID 58159614
1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 167693775
2-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 156634982
6-[4-(dimethylamino)benzoyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91894565
5-methyl-1-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 118365737
6-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91894557
2-(pyridin-3-ylmethyl)-1,3-dihydroisoindole-5-carbonitrile
CID 82163939
2-[4-[5-[6,6-dimethyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-3-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenyl]acetaldehyde
CID 58559358

Frequently Asked Questions

What is the IUPAC name of 6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole?
The IUPAC name of 6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole (CID 167654537) is 6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole.
What is the SMILES notation for 6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole?
The canonical SMILES for 6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole is CN1Cc2nn(Cc3cccnc3)c(-c3ccc4c(c3)N=CC4)c2C1.
What is the InChIKey of 6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole?
The InChIKey is NNEIACUQFJICKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-24-12-17-19(13-24)23-25(11-14-3-2-7-21-10-14)20(17)16-5-4-15-6-8-22-18(15)9-16/h2-5,7-10H,6,11-13H2,1H3.
What are the key properties of 6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole?
6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole has a molecular weight of 329.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3H-indole is sourced from PubChem (CID 167654537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).