4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C20H19F2N7O — CID 135335837

IUPAC4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(C)Oc1nc(F)ccc1F
InChIInChI=1S/C20H19F2N7O/c1-10(30-20-13(21)3-6-16(22)27-20)9-29-11(2)25-15-5-4-14(26-19(15)29)12-7-17(23)28-18(24)8-12/h3-8,10H,9H2,1-2H3,(H4,23,24,28)
InChIKeyYUWPGOBCMYVJSA-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.11
Rot. Bonds5

About 4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335837) has the molecular formula C20H19F2N7O and a molecular weight of 411.42 g/mol. Its IUPAC name is 4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335837
Molecular FormulaC20H19F2N7O
Molecular Weight411.42 g/mol
Exact Mass411.16
IUPAC Name4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(C)Oc1nc(F)ccc1F
InChIInChI=1S/C20H19F2N7O/c1-10(30-20-13(21)3-6-16(22)27-20)9-29-11(2)25-15-5-4-14(26-19(15)29)12-7-17(23)28-18(24)8-12/h3-8,10H,9H2,1-2H3,(H4,23,24,28)
InChIKeyYUWPGOBCMYVJSA-UHFFFAOYSA-N
XLogP3.11
TPSA117.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335837) is 4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CC(C)Oc1nc(F)ccc1F.
What is the InChIKey of 4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is YUWPGOBCMYVJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7O/c1-10(30-20-13(21)3-6-16(22)27-20)9-29-11(2)25-15-5-4-14(26-19(15)29)12-7-17(23)28-18(24)8-12/h3-8,10H,9H2,1-2H3,(H4,23,24,28).
What are the key properties of 4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 411.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(3,6-difluoro-2-pyridinyl)oxy]propyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).