[4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane

C23H25N5O2 — CID 171495949

IUPAC[4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane
SMILESC.Nc1ncccc1-c1nc2ccc(C3CCOC3)nc2n1-c1ccc(CO)cc1
InChIInChI=1S/C22H21N5O2.CH4/c23-20-17(2-1-10-24-20)21-26-19-8-7-18(15-9-11-29-13-15)25-22(19)27(21)16-5-3-14(12-28)4-6-16;/h1-8,10,15,28H,9,11-13H2,(H2,23,24);1H4
InChIKeyNHOCVRNXWSZJKM-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.70
Rot. Bonds4

About [4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane

[4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane (PubChem CID 171495949) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane.

Molecular Properties

Compound Name[4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane
PubChem CID171495949
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name[4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane
SMILESC.Nc1ncccc1-c1nc2ccc(C3CCOC3)nc2n1-c1ccc(CO)cc1
InChIInChI=1S/C22H21N5O2.CH4/c23-20-17(2-1-10-24-20)21-26-19-8-7-18(15-9-11-29-13-15)25-22(19)27(21)16-5-3-14(12-28)4-6-16;/h1-8,10,15,28H,9,11-13H2,(H2,23,24);1H4
InChIKeyNHOCVRNXWSZJKM-UHFFFAOYSA-N
XLogP3.70
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-(2-amino-3-pyridinyl)-5-(5-cyclopropyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495649
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494473
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
[4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495357
[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171493964
[4-[2-(2-amino-3-pyridinyl)-5-(fluoromethoxy)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171494619
[2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 174235787
3-[3-hydroxy-5-(oxetan-3-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 174277886
[4-[2-(2-amino-3-pyridinyl)-5-(1-propan-2-yltriazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171599297
[4-[2-(2-amino-3-pyridinyl)-5-[2-(fluoromethyl)triazol-4-yl]imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;ethane
CID 171495487
[4-[2-(2-amino-3-pyridinyl)-5-(5-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171599493
3-[5-cyclohexyl-3-[4-[[4-(ethenylamino)piperidin-1-yl]methyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
CID 171563366

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane?
The IUPAC name of [4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane (CID 171495949) is [4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane.
What is the SMILES notation for [4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane?
The canonical SMILES for [4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane is C.Nc1ncccc1-c1nc2ccc(C3CCOC3)nc2n1-c1ccc(CO)cc1.
What is the InChIKey of [4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane?
The InChIKey is NHOCVRNXWSZJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2.CH4/c23-20-17(2-1-10-24-20)21-26-19-8-7-18(15-9-11-29-13-15)25-22(19)27(21)16-5-3-14(12-28)4-6-16;/h1-8,10,15,28H,9,11-13H2,(H2,23,24);1H4.
What are the key properties of [4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane?
[4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane has a molecular weight of 403.49 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-amino-3-pyridinyl)-5-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol;methane is sourced from PubChem (CID 171495949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).