[(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone

C25H23FN8O3 — CID 159876266

IUPAC[(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone
SMILES[C-]#[N+]c1cc(C)c(Oc2cc(Nc3ccc(C(=O)N4C[C@@H](F)[C@H](OC)C4)cn3)c3ncn(C)c3n2)cn1
InChIInChI=1S/C25H23FN8O3/c1-14-7-21(27-2)29-10-18(14)37-22-8-17(23-24(32-22)33(3)13-30-23)31-20-6-5-15(9-28-20)25(35)34-11-16(26)19(12-34)36-4/h5-10,13,16,19H,11-12H2,1,3-4H3,(H,28,31,32)/t16-,19-/m1/s1
InChIKeyNSYDESRNSIQFKI-VQIMIIECSA-N
MW502.51 g/mol
LogP3.96
Rot. Bonds6

About [(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone

[(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone (PubChem CID 159876266) has the molecular formula C25H23FN8O3 and a molecular weight of 502.51 g/mol. Its IUPAC name is [(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone
PubChem CID159876266
Molecular FormulaC25H23FN8O3
Molecular Weight502.51 g/mol
Exact Mass502.19
IUPAC Name[(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone
SMILES[C-]#[N+]c1cc(C)c(Oc2cc(Nc3ccc(C(=O)N4C[C@@H](F)[C@H](OC)C4)cn3)c3ncn(C)c3n2)cn1
InChIInChI=1S/C25H23FN8O3/c1-14-7-21(27-2)29-10-18(14)37-22-8-17(23-24(32-22)33(3)13-30-23)31-20-6-5-15(9-28-20)25(35)34-11-16(26)19(12-34)36-4/h5-10,13,16,19H,11-12H2,1,3-4H3,(H,28,31,32)/t16-,19-/m1/s1
InChIKeyNSYDESRNSIQFKI-VQIMIIECSA-N
XLogP3.96
TPSA111.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze [(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

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CA-4948
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YM-201636
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Gsk-269962A
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Emavusertib
CID 118224491
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CID 16099846
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(morpholin-4-ylmethyl)benzamide
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CID 70701949
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,2,3-tetramethylimidazo[4,5-b]pyridine-6-carboxamide
CID 10743446

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone?
The IUPAC name of [(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone (CID 159876266) is [(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone.
What is the SMILES notation for [(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone?
The canonical SMILES for [(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone is [C-]#[N+]c1cc(C)c(Oc2cc(Nc3ccc(C(=O)N4C[C@@H](F)[C@H](OC)C4)cn3)c3ncn(C)c3n2)cn1.
What is the InChIKey of [(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone?
The InChIKey is NSYDESRNSIQFKI-VQIMIIECSA-N. The full InChI is InChI=1S/C25H23FN8O3/c1-14-7-21(27-2)29-10-18(14)37-22-8-17(23-24(32-22)33(3)13-30-23)31-20-6-5-15(9-28-20)25(35)34-11-16(26)19(12-34)36-4/h5-10,13,16,19H,11-12H2,1,3-4H3,(H,28,31,32)/t16-,19-/m1/s1.
What are the key properties of [(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone?
[(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone has a molecular weight of 502.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 159876266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).