N-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

C24H23F5N8O3 — CID 157041891

IUPACN-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)C(F)(F)F)n([C@H]5CCOC5)n4)n(C)c3c2C)ccn1
InChIInChI=1S/C24H23F5N8O3/c1-12-16(40-15-4-6-30-18(8-15)32-13(2)38)10-31-21-20(12)36(3)22(34-21)33-19-9-17(23(25,26)24(27,28)29)37(35-19)14-5-7-39-11-14/h4,6,8-10,14H,5,7,11H2,1-3H3,(H,30,32,38)(H,31,33,34,35)/t14-/m0/s1
InChIKeyKBVLBMKMSCOZOE-AWEZNQCLSA-N
MW566.49 g/mol
LogP4.98
Rot. Bonds7

About N-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157041891) has the molecular formula C24H23F5N8O3 and a molecular weight of 566.49 g/mol. Its IUPAC name is N-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID157041891
Molecular FormulaC24H23F5N8O3
Molecular Weight566.49 g/mol
Exact Mass566.18
IUPAC NameN-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)C(F)(F)F)n([C@H]5CCOC5)n4)n(C)c3c2C)ccn1
InChIInChI=1S/C24H23F5N8O3/c1-12-16(40-15-4-6-30-18(8-15)32-13(2)38)10-31-21-20(12)36(3)22(34-21)33-19-9-17(23(25,26)24(27,28)29)37(35-19)14-5-7-39-11-14/h4,6,8-10,14H,5,7,11H2,1-3H3,(H,30,32,38)(H,31,33,34,35)/t14-/m0/s1
InChIKeyKBVLBMKMSCOZOE-AWEZNQCLSA-N
XLogP4.98
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.49
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[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-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 157041891) is N-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)C(F)(F)F)n([C@H]5CCOC5)n4)n(C)c3c2C)ccn1.
What is the InChIKey of N-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is KBVLBMKMSCOZOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H23F5N8O3/c1-12-16(40-15-4-6-30-18(8-15)32-13(2)38)10-31-21-20(12)36(3)22(34-21)33-19-9-17(23(25,26)24(27,28)29)37(35-19)14-5-7-39-11-14/h4,6,8-10,14H,5,7,11H2,1-3H3,(H,30,32,38)(H,31,33,34,35)/t14-/m0/s1.
What are the key properties of N-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
N-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 566.49 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1,7-dimethyl-2-[[1-[(3S)-oxolan-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)pyrazol-3-yl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157041891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).