3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine

C20H16F3N5O2 — CID 53251453

IUPAC3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(-c3ccccn3)nc3cc(OC(C)C(F)(F)F)cnc32)cn1
InChIInChI=1S/C20H16F3N5O2/c1-12(20(21,22)23)30-14-9-16-18(26-11-14)28(13-6-7-17(29-2)25-10-13)19(27-16)15-5-3-4-8-24-15/h3-12H,1-2H3
InChIKeyYPOYMFFPLBYZJI-UHFFFAOYSA-N
MW415.38 g/mol
LogP4.22
Rot. Bonds5

About 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine

3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine (PubChem CID 53251453) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine
PubChem CID53251453
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC Name3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(-c3ccccn3)nc3cc(OC(C)C(F)(F)F)cnc32)cn1
InChIInChI=1S/C20H16F3N5O2/c1-12(20(21,22)23)30-14-9-16-18(26-11-14)28(13-6-7-17(29-2)25-10-13)19(27-16)15-5-3-4-8-24-15/h3-12H,1-2H3
InChIKeyYPOYMFFPLBYZJI-UHFFFAOYSA-N
XLogP4.22
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

Gdc-0425
CID 58266779
N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 6539010
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101
5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11532065
6-(Benzimidazol-1-Yl)-N-[5-[3-(Dimethylamino)propoxy]pyridin-2-Yl]pyrimidin-4-Amine
CID 76871873
9-[[4-[2,2-Bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine
CID 156587313
9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine
CID 156587314
6-Iodo-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]imidazo[1,2-a]pyridine
CID 11583188
3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 71520979
[(3S)-3-[8-(6-methoxy-3-pyridinyl)-9-methylpurin-6-yl]oxypyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 155521814
2-(4-(2-Methoxyphenyl)piperazin-1-ylmethyl)imidazo(1,2-a)pyridine
CID 6469693

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine (CID 53251453) is 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine is COc1ccc(-n2c(-c3ccccn3)nc3cc(OC(C)C(F)(F)F)cnc32)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine?
The InChIKey is YPOYMFFPLBYZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2/c1-12(20(21,22)23)30-14-9-16-18(26-11-14)28(13-6-7-17(29-2)25-10-13)19(27-16)15-5-3-4-8-24-15/h3-12H,1-2H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine?
3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine has a molecular weight of 415.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-2-pyridin-2-yl-6-(1,1,1-trifluoropropan-2-yloxy)imidazo[4,5-b]pyridine is sourced from PubChem (CID 53251453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).