N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine

C23H24F2N4O2 — CID 162735467

IUPACN-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine
SMILESCc1cc(NCc2cc(F)ccc2F)c2ncn([C@@H]3[C@H]4C[C@H]4[C@H]4OC(C)(C)O[C@H]43)c2n1
InChIInChI=1S/C23H24F2N4O2/c1-11-6-17(26-9-12-7-13(24)4-5-16(12)25)18-22(28-11)29(10-27-18)19-14-8-15(14)20-21(19)31-23(2,3)30-20/h4-7,10,14-15,19-21H,8-9H2,1-3H3,(H,26,28)/t14-,15+,19+,20+,21-/m0/s1
InChIKeyHXEHRBXLNCCNNW-LFDFRMOKSA-N
MW426.47 g/mol
LogP4.34
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine

N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine (PubChem CID 162735467) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine
PubChem CID162735467
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine
SMILESCc1cc(NCc2cc(F)ccc2F)c2ncn([C@@H]3[C@H]4C[C@H]4[C@H]4OC(C)(C)O[C@H]43)c2n1
InChIInChI=1S/C23H24F2N4O2/c1-11-6-17(26-9-12-7-13(24)4-5-16(12)25)18-22(28-11)29(10-27-18)19-14-8-15(14)20-21(19)31-23(2,3)30-20/h4-7,10,14-15,19-21H,8-9H2,1-3H3,(H,26,28)/t14-,15+,19+,20+,21-/m0/s1
InChIKeyHXEHRBXLNCCNNW-LFDFRMOKSA-N
XLogP4.34
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine (CID 162735467) is N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine is Cc1cc(NCc2cc(F)ccc2F)c2ncn([C@@H]3[C@H]4C[C@H]4[C@H]4OC(C)(C)O[C@H]43)c2n1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine?
The InChIKey is HXEHRBXLNCCNNW-LFDFRMOKSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-11-6-17(26-9-12-7-13(24)4-5-16(12)25)18-22(28-11)29(10-27-18)19-14-8-15(14)20-21(19)31-23(2,3)30-20/h4-7,10,14-15,19-21H,8-9H2,1-3H3,(H,26,28)/t14-,15+,19+,20+,21-/m0/s1.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine?
N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine has a molecular weight of 426.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-[(1R,2R,4S,5R,6S)-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-5-methylimidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 162735467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).