5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile

C24H21FN8O3 — CID 138560219

IUPAC5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3C[C@@H](O)[C@H](F)C3)cn2)c2ncn(C)c2n1
InChIInChI=1S/C24H21FN8O3/c1-13-5-15(7-26)27-9-19(13)36-21-6-17(22-23(31-21)32(2)12-29-22)30-20-4-3-14(8-28-20)24(35)33-10-16(25)18(34)11-33/h3-6,8-9,12,16,18,34H,10-11H2,1-2H3,(H,28,30,31)/t16-,18-/m1/s1
InChIKeyMOKMRTCFMBTIPW-SJLPKXTDSA-N
MW488.48 g/mol
LogP2.63
Rot. Bonds5

About 5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile

5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile (PubChem CID 138560219) has the molecular formula C24H21FN8O3 and a molecular weight of 488.48 g/mol. Its IUPAC name is 5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
PubChem CID138560219
Molecular FormulaC24H21FN8O3
Molecular Weight488.48 g/mol
Exact Mass488.17
IUPAC Name5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3C[C@@H](O)[C@H](F)C3)cn2)c2ncn(C)c2n1
InChIInChI=1S/C24H21FN8O3/c1-13-5-15(7-26)27-9-19(13)36-21-6-17(22-23(31-21)32(2)12-29-22)30-20-4-3-14(8-28-20)24(35)33-10-16(25)18(34)11-33/h3-6,8-9,12,16,18,34H,10-11H2,1-2H3,(H,28,30,31)/t16-,18-/m1/s1
InChIKeyMOKMRTCFMBTIPW-SJLPKXTDSA-N
XLogP2.63
TPSA142.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?
The IUPAC name of 5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile (CID 138560219) is 5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile is Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3C[C@@H](O)[C@H](F)C3)cn2)c2ncn(C)c2n1.
What is the InChIKey of 5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?
The InChIKey is MOKMRTCFMBTIPW-SJLPKXTDSA-N. The full InChI is InChI=1S/C24H21FN8O3/c1-13-5-15(7-26)27-9-19(13)36-21-6-17(22-23(31-21)32(2)12-29-22)30-20-4-3-14(8-28-20)24(35)33-10-16(25)18(34)11-33/h3-6,8-9,12,16,18,34H,10-11H2,1-2H3,(H,28,30,31)/t16-,18-/m1/s1.
What are the key properties of 5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile?
5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile has a molecular weight of 488.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 138560219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).