N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

C25H29FN8O3 — CID 157042210

IUPACN-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4nn([C@H]5CCOC5)c(C(C)(C)C)c4F)n(C)c3c2)ccn1
InChIInChI=1S/C25H29FN8O3/c1-14(35)29-19-11-16(6-8-27-19)37-17-10-18-22(28-12-17)30-24(33(18)5)31-23-20(26)21(25(2,3)4)34(32-23)15-7-9-36-13-15/h6,8,10-12,15H,7,9,13H2,1-5H3,(H,27,29,35)(H,28,30,31,32)/t15-/m0/s1
InChIKeyGVOBZYZZAIHMCD-HNNXBMFYSA-N
MW508.56 g/mol
LogP4.45
Rot. Bonds6

About N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157042210) has the molecular formula C25H29FN8O3 and a molecular weight of 508.56 g/mol. Its IUPAC name is N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID157042210
Molecular FormulaC25H29FN8O3
Molecular Weight508.56 g/mol
Exact Mass508.23
IUPAC NameN-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4nn([C@H]5CCOC5)c(C(C)(C)C)c4F)n(C)c3c2)ccn1
InChIInChI=1S/C25H29FN8O3/c1-14(35)29-19-11-16(6-8-27-19)37-17-10-18-22(28-12-17)30-24(33(18)5)31-23-20(26)21(25(2,3)4)34(32-23)15-7-9-36-13-15/h6,8,10-12,15H,7,9,13H2,1-5H3,(H,27,29,35)(H,28,30,31,32)/t15-/m0/s1
InChIKeyGVOBZYZZAIHMCD-HNNXBMFYSA-N
XLogP4.45
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.56
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 157042210) is N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(Nc4nn([C@H]5CCOC5)c(C(C)(C)C)c4F)n(C)c3c2)ccn1.
What is the InChIKey of N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is GVOBZYZZAIHMCD-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H29FN8O3/c1-14(35)29-19-11-16(6-8-27-19)37-17-10-18-22(28-12-17)30-24(33(18)5)31-23-20(26)21(25(2,3)4)34(32-23)15-7-9-36-13-15/h6,8,10-12,15H,7,9,13H2,1-5H3,(H,27,29,35)(H,28,30,31,32)/t15-/m0/s1.
What are the key properties of N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 508.56 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157042210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).