3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine

C19H17FN6 — CID 123474261

IUPAC3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCc1cc(Nc2ccc3ncn(C4CCc5ccc(F)cc54)c3n2)n[nH]1
InChIInChI=1S/C19H17FN6/c1-11-8-18(25-24-11)22-17-7-5-15-19(23-17)26(10-21-15)16-6-3-12-2-4-13(20)9-14(12)16/h2,4-5,7-10,16H,3,6H2,1H3,(H2,22,23,24,25)
InChIKeyFDDVOZGQHRHCEZ-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.88
Rot. Bonds3

About 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine

3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine (PubChem CID 123474261) has the molecular formula C19H17FN6 and a molecular weight of 348.39 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine
PubChem CID123474261
Molecular FormulaC19H17FN6
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC Name3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCc1cc(Nc2ccc3ncn(C4CCc5ccc(F)cc54)c3n2)n[nH]1
InChIInChI=1S/C19H17FN6/c1-11-8-18(25-24-11)22-17-7-5-15-19(23-17)26(10-21-15)16-6-3-12-2-4-13(20)9-14(12)16/h2,4-5,7-10,16H,3,6H2,1H3,(H2,22,23,24,25)
InChIKeyFDDVOZGQHRHCEZ-UHFFFAOYSA-N
XLogP3.88
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine
CID 72551271
N-[3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)imidazo[4,5-b]pyridin-5-yl]-4-methylideneazetidin-2-imine
CID 137032217
3-fluoro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 175886124
ethane;ethene;1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine-6-carbaldehyde
CID 171098984
2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946142
2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 138665084
4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol
CID 175206591
2-[2-(4-fluorophenyl)ethenyl]-6-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 90977357
3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine
CID 69174008
(3-chloro-2-fluorophenyl)-[(3R)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
CID 124941992
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47380214
2-[dimethylamino-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494368

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine (CID 123474261) is 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine is Cc1cc(Nc2ccc3ncn(C4CCc5ccc(F)cc54)c3n2)n[nH]1.
What is the InChIKey of 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine?
The InChIKey is FDDVOZGQHRHCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6/c1-11-8-18(25-24-11)22-17-7-5-15-19(23-17)26(10-21-15)16-6-3-12-2-4-13(20)9-14(12)16/h2,4-5,7-10,16H,3,6H2,1H3,(H2,22,23,24,25).
What are the key properties of 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine?
3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine has a molecular weight of 348.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 123474261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).