4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one

C23H23FN8O3 — CID 155282347

IUPAC4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
SMILESCOc1nc(-c2nc(Nc3ccc(N4CCOCC4=O)cn3)ncc2F)cc2c1ncn2C(C)C
InChIInChI=1S/C23H23FN8O3/c1-13(2)32-12-27-21-17(32)8-16(28-22(21)34-3)20-15(24)10-26-23(30-20)29-18-5-4-14(9-25-18)31-6-7-35-11-19(31)33/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,25,26,29,30)
InChIKeyICPKZHOHYDHLPM-UHFFFAOYSA-N
MW478.49 g/mol
LogP3.12
Rot. Bonds6

About 4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one

4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one (PubChem CID 155282347) has the molecular formula C23H23FN8O3 and a molecular weight of 478.49 g/mol. Its IUPAC name is 4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one.

Molecular Properties

Compound Name4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
PubChem CID155282347
Molecular FormulaC23H23FN8O3
Molecular Weight478.49 g/mol
Exact Mass478.19
IUPAC Name4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
SMILESCOc1nc(-c2nc(Nc3ccc(N4CCOCC4=O)cn3)ncc2F)cc2c1ncn2C(C)C
InChIInChI=1S/C23H23FN8O3/c1-13(2)32-12-27-21-17(32)8-16(28-22(21)34-3)20-15(24)10-26-23(30-20)29-18-5-4-14(9-25-18)31-6-7-35-11-19(31)33/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,25,26,29,30)
InChIKeyICPKZHOHYDHLPM-UHFFFAOYSA-N
XLogP3.12
TPSA120.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
CID 155282174
4-ethyl-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
CID 155281872
1-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-(2-methylsulfonylethyl)piperazin-2-one
CID 155282350
4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
CID 167605122
4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine
CID 155281980
5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 175582344
4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
CID 167621080
N-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-amine
CID 155282066
6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine
CID 155281818
4-(dimethylamino)-1-[6-[[5-fluoro-4-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
CID 134342213
4-[6-[[5-fluoro-4-(4-methoxy-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]-1,4-diazepan-5-one
CID 167655642
4-(3-fluoroazetidin-1-yl)-1-[6-[[4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one
CID 167569517

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one?
The IUPAC name of 4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one (CID 155282347) is 4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one.
What is the SMILES notation for 4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one?
The canonical SMILES for 4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one is COc1nc(-c2nc(Nc3ccc(N4CCOCC4=O)cn3)ncc2F)cc2c1ncn2C(C)C.
What is the InChIKey of 4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one?
The InChIKey is ICPKZHOHYDHLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O3/c1-13(2)32-12-27-21-17(32)8-16(28-22(21)34-3)20-15(24)10-26-23(30-20)29-18-5-4-14(9-25-18)31-6-7-35-11-19(31)33/h4-5,8-10,12-13H,6-7,11H2,1-3H3,(H,25,26,29,30).
What are the key properties of 4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one?
4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one has a molecular weight of 478.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one is sourced from PubChem (CID 155282347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).