N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide

C23H21ClF2N6O2 — CID 130391315

IUPACN-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(Oc2nc3nc(NCc4c(F)cccc4F)c(Cl)cc3[nH]2)cn1
InChIInChI=1S/C23H21ClF2N6O2/c1-12(33)32-23(2,3)19-8-7-13(10-27-19)34-22-29-18-9-15(24)20(30-21(18)31-22)28-11-14-16(25)5-4-6-17(14)26/h4-10H,11H2,1-3H3,(H,32,33)(H2,28,29,30,31)
InChIKeyQZTXTMDKYUSLEQ-UHFFFAOYSA-N
MW486.91 g/mol
LogP5.06
Rot. Bonds7

About N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide

N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide (PubChem CID 130391315) has the molecular formula C23H21ClF2N6O2 and a molecular weight of 486.91 g/mol. Its IUPAC name is N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide
PubChem CID130391315
Molecular FormulaC23H21ClF2N6O2
Molecular Weight486.91 g/mol
Exact Mass486.14
IUPAC NameN-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(Oc2nc3nc(NCc4c(F)cccc4F)c(Cl)cc3[nH]2)cn1
InChIInChI=1S/C23H21ClF2N6O2/c1-12(33)32-23(2,3)19-8-7-13(10-27-19)34-22-29-18-9-15(24)20(30-21(18)31-22)28-11-14-16(25)5-4-6-17(14)26/h4-10H,11H2,1-3H3,(H,32,33)(H2,28,29,30,31)
InChIKeyQZTXTMDKYUSLEQ-UHFFFAOYSA-N
XLogP5.06
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.91
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide with MolForge

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Related Compounds

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CID 122445521
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CID 127040662
CID 127040662
CID 68170095
CID 68170095
CID 86279145
CID 86279145
CID 127037981
CID 127037981
CID 127037982
CID 127037982
CID 127038947
CID 127038947
CID 127039917
CID 127039917
CID 127040994
CID 127040994

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide (CID 130391315) is N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1ccc(Oc2nc3nc(NCc4c(F)cccc4F)c(Cl)cc3[nH]2)cn1.
What is the InChIKey of N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide?
The InChIKey is QZTXTMDKYUSLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N6O2/c1-12(33)32-23(2,3)19-8-7-13(10-27-19)34-22-29-18-9-15(24)20(30-21(18)31-22)28-11-14-16(25)5-4-6-17(14)26/h4-10H,11H2,1-3H3,(H,32,33)(H2,28,29,30,31).
What are the key properties of N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide?
N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide has a molecular weight of 486.91 g/mol, XLogP of 5.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[[6-chloro-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-pyridinyl]propan-2-yl]acetamide is sourced from PubChem (CID 130391315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).