1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine

C48H49BrCl2F4N14O6 — CID 167583037

IUPAC1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine
SMILESCC(=O)Cc1cc(Oc2cnc3nc(Br)n(C)c3c2Cl)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(F)F)n([C@H]5CCOC5)n4)n(C)c3c2Cl)ccn1.CC(F)(F)c1cc(N)nn1[C@H]1CCOC1
InChIInChI=1S/C24H24ClF2N7O3.C15H12BrClN4O2.C9H13F2N3O/c1-13(35)8-14-9-16(4-6-28-14)37-17-11-29-22-21(20(17)25)33(3)23(31-22)30-19-10-18(24(2,26)27)34(32-19)15-5-7-36-12-15;1-8(22)5-9-6-10(3-4-18-9)23-11-7-19-14-13(12(11)17)21(2)15(16)20-14;1-9(10,11)7-4-8(12)13-14(7)6-2-3-15-5-6/h4,6,9-11,15H,5,7-8,12H2,1-3H3,(H,29,30,31,32);3-4,6-7H,5H2,1-2H3;4,6H,2-3,5H2,1H3,(H2,12,13)/t15-;;6-/m0.0/s1
InChIKeyHKYLZXXEYQVXBL-GPVZQKFCSA-N
MW1144.81 g/mol
LogP10.20
Rot. Bonds14

About 1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine

1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine (PubChem CID 167583037) has the molecular formula C48H49BrCl2F4N14O6 and a molecular weight of 1144.81 g/mol. Its IUPAC name is 1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine
PubChem CID167583037
Molecular FormulaC48H49BrCl2F4N14O6
Molecular Weight1144.81 g/mol
Exact Mass1142.25
IUPAC Name1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine
SMILESCC(=O)Cc1cc(Oc2cnc3nc(Br)n(C)c3c2Cl)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(F)F)n([C@H]5CCOC5)n4)n(C)c3c2Cl)ccn1.CC(F)(F)c1cc(N)nn1[C@H]1CCOC1
InChIInChI=1S/C24H24ClF2N7O3.C15H12BrClN4O2.C9H13F2N3O/c1-13(35)8-14-9-16(4-6-28-14)37-17-11-29-22-21(20(17)25)33(3)23(31-22)30-19-10-18(24(2,26)27)34(32-19)15-5-7-36-12-15;1-8(22)5-9-6-10(3-4-18-9)23-11-7-19-14-13(12(11)17)21(2)15(16)20-14;1-9(10,11)7-4-8(12)13-14(7)6-2-3-15-5-6/h4,6,9-11,15H,5,7-8,12H2,1-3H3,(H,29,30,31,32);3-4,6-7H,5H2,1-2H3;4,6H,2-3,5H2,1H3,(H2,12,13)/t15-;;6-/m0.0/s1
InChIKeyHKYLZXXEYQVXBL-GPVZQKFCSA-N
XLogP10.20
TPSA231.95 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001144.81
LogP ≤ 510.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine?
The IUPAC name of 1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine (CID 167583037) is 1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine?
The canonical SMILES for 1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine is CC(=O)Cc1cc(Oc2cnc3nc(Br)n(C)c3c2Cl)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(F)F)n([C@H]5CCOC5)n4)n(C)c3c2Cl)ccn1.CC(F)(F)c1cc(N)nn1[C@H]1CCOC1.
What is the InChIKey of 1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine?
The InChIKey is HKYLZXXEYQVXBL-GPVZQKFCSA-N. The full InChI is InChI=1S/C24H24ClF2N7O3.C15H12BrClN4O2.C9H13F2N3O/c1-13(35)8-14-9-16(4-6-28-14)37-17-11-29-22-21(20(17)25)33(3)23(31-22)30-19-10-18(24(2,26)27)34(32-19)15-5-7-36-12-15;1-8(22)5-9-6-10(3-4-18-9)23-11-7-19-14-13(12(11)17)21(2)15(16)20-14;1-9(10,11)7-4-8(12)13-14(7)6-2-3-15-5-6/h4,6,9-11,15H,5,7-8,12H2,1-3H3,(H,29,30,31,32);3-4,6-7H,5H2,1-2H3;4,6H,2-3,5H2,1H3,(H2,12,13)/t15-;;6-/m0.0/s1.
What are the key properties of 1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine?
1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine has a molecular weight of 1144.81 g/mol, XLogP of 10.20, 14 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromo-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine is sourced from PubChem (CID 167583037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).