[2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine

C21H21FN6O — CID 121249907

IUPAC[2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ccnc3nc(-c4cnn(C5CCOCC5)c4)[nH]c23)cc1F
InChIInChI=1S/C21H21FN6O/c22-18-9-13(1-2-14(18)10-23)17-3-6-24-21-19(17)26-20(27-21)15-11-25-28(12-15)16-4-7-29-8-5-16/h1-3,6,9,11-12,16H,4-5,7-8,10,23H2,(H,24,26,27)
InChIKeyCDEFJONXJXYSAW-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.44
Rot. Bonds4

About [2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine

[2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine (PubChem CID 121249907) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is [2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine
PubChem CID121249907
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name[2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ccnc3nc(-c4cnn(C5CCOCC5)c4)[nH]c23)cc1F
InChIInChI=1S/C21H21FN6O/c22-18-9-13(1-2-14(18)10-23)17-3-6-24-21-19(17)26-20(27-21)15-11-25-28(12-15)16-4-7-29-8-5-16/h1-3,6,9,11-12,16H,4-5,7-8,10,23H2,(H,24,26,27)
InChIKeyCDEFJONXJXYSAW-UHFFFAOYSA-N
XLogP3.44
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine?
The IUPAC name of [2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine (CID 121249907) is [2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine is NCc1ccc(-c2ccnc3nc(-c4cnn(C5CCOCC5)c4)[nH]c23)cc1F.
What is the InChIKey of [2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine?
The InChIKey is CDEFJONXJXYSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c22-18-9-13(1-2-14(18)10-23)17-3-6-24-21-19(17)26-20(27-21)15-11-25-28(12-15)16-4-7-29-8-5-16/h1-3,6,9,11-12,16H,4-5,7-8,10,23H2,(H,24,26,27).
What are the key properties of [2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine?
[2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine has a molecular weight of 392.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine is sourced from PubChem (CID 121249907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).