(1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine

C17H15FN6 — CID 58164226

IUPAC(1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine
SMILESN[C@H](Cc1cccc(F)c1)c1nc2ncc(-c3cn[nH]c3)cc2[nH]1
InChIInChI=1S/C17H15FN6/c18-13-3-1-2-10(4-13)5-14(19)16-23-15-6-11(7-20-17(15)24-16)12-8-21-22-9-12/h1-4,6-9,14H,5,19H2,(H,21,22)(H,20,23,24)/t14-/m1/s1
InChIKeyCYCMBYORWLJHQQ-CQSZACIVSA-N
MW322.35 g/mol
LogP2.73
Rot. Bonds4

About (1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine

(1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine (PubChem CID 58164226) has the molecular formula C17H15FN6 and a molecular weight of 322.35 g/mol. Its IUPAC name is (1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine
PubChem CID58164226
Molecular FormulaC17H15FN6
Molecular Weight322.35 g/mol
Exact Mass322.13
IUPAC Name(1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine
SMILESN[C@H](Cc1cccc(F)c1)c1nc2ncc(-c3cn[nH]c3)cc2[nH]1
InChIInChI=1S/C17H15FN6/c18-13-3-1-2-10(4-13)5-14(19)16-23-15-6-11(7-20-17(15)24-16)12-8-21-22-9-12/h1-4,6-9,14H,5,19H2,(H,21,22)(H,20,23,24)/t14-/m1/s1
InChIKeyCYCMBYORWLJHQQ-CQSZACIVSA-N
XLogP2.73
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine?
The IUPAC name of (1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine (CID 58164226) is (1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine.
What is the SMILES notation for (1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine?
The canonical SMILES for (1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine is N[C@H](Cc1cccc(F)c1)c1nc2ncc(-c3cn[nH]c3)cc2[nH]1.
What is the InChIKey of (1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine?
The InChIKey is CYCMBYORWLJHQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15FN6/c18-13-3-1-2-10(4-13)5-14(19)16-23-15-6-11(7-20-17(15)24-16)12-8-21-22-9-12/h1-4,6-9,14H,5,19H2,(H,21,22)(H,20,23,24)/t14-/m1/s1.
What are the key properties of (1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine?
(1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine has a molecular weight of 322.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine is sourced from PubChem (CID 58164226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).