5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine

C17H20N4 — CID 145000696

IUPAC5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)cnc21
InChIInChI=1S/C17H20N4/c1-17(2)6-4-13-14(9-17)19-20-15(13)12-8-11-5-7-21(3)16(11)18-10-12/h5,7-8,10H,4,6,9H2,1-3H3,(H,19,20)
InChIKeyYFOMKGOKBYOYMO-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.48
Rot. Bonds1

About 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine

5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 145000696) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine
PubChem CID145000696
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)cnc21
InChIInChI=1S/C17H20N4/c1-17(2)6-4-13-14(9-17)19-20-15(13)12-8-11-5-7-21(3)16(11)18-10-12/h5,7-8,10H,4,6,9H2,1-3H3,(H,19,20)
InChIKeyYFOMKGOKBYOYMO-UHFFFAOYSA-N
XLogP3.48
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline
CID 144999929
5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one
CID 144999746
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde
CID 145000491
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine
CID 144999873
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(1-methylindol-2-yl)methyl]pyridin-2-amine
CID 145000212
6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 144999961
N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 144999809
1-[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(2-methylpyrimidin-5-yl)methylamino]-2-pyridinyl]ethanone
CID 144999731
cis-(1R,3S)-3-[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 144999671
1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea
CID 144999837
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 145000125
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridin-2-amine
CID 145000317

Frequently Asked Questions

What is the IUPAC name of 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine (CID 145000696) is 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine is Cn1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)cnc21.
What is the InChIKey of 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is YFOMKGOKBYOYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-17(2)6-4-13-14(9-17)19-20-15(13)12-8-11-5-7-21(3)16(11)18-10-12/h5,7-8,10H,4,6,9H2,1-3H3,(H,19,20).
What are the key properties of 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine?
5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 280.38 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 145000696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).