(2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine

C20H19FN6O — CID 135293515

IUPAC(2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine
SMILESCC[C@H](N)COc1cncc(-c2cc3c(cn2)cnn3-c2ccccc2F)n1
InChIInChI=1S/C20H19FN6O/c1-2-14(22)12-28-20-11-23-10-17(26-20)16-7-19-13(8-24-16)9-25-27(19)18-6-4-3-5-15(18)21/h3-11,14H,2,12,22H2,1H3/t14-/m0/s1
InChIKeyHUOTXMHVDFVEME-AWEZNQCLSA-N
MW378.41 g/mol
LogP3.13
Rot. Bonds6

About (2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine

(2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine (PubChem CID 135293515) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is (2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine.

Molecular Properties

Compound Name(2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine
PubChem CID135293515
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name(2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine
SMILESCC[C@H](N)COc1cncc(-c2cc3c(cn2)cnn3-c2ccccc2F)n1
InChIInChI=1S/C20H19FN6O/c1-2-14(22)12-28-20-11-23-10-17(26-20)16-7-19-13(8-24-16)9-25-27(19)18-6-4-3-5-15(18)21/h3-11,14H,2,12,22H2,1H3/t14-/m0/s1
InChIKeyHUOTXMHVDFVEME-AWEZNQCLSA-N
XLogP3.13
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine?
The IUPAC name of (2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine (CID 135293515) is (2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine.
What is the SMILES notation for (2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine?
The canonical SMILES for (2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine is CC[C@H](N)COc1cncc(-c2cc3c(cn2)cnn3-c2ccccc2F)n1.
What is the InChIKey of (2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine?
The InChIKey is HUOTXMHVDFVEME-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-2-14(22)12-28-20-11-23-10-17(26-20)16-7-19-13(8-24-16)9-25-27(19)18-6-4-3-5-15(18)21/h3-11,14H,2,12,22H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine?
(2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine has a molecular weight of 378.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[6-[1-(2-fluorophenyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]oxybutan-2-amine is sourced from PubChem (CID 135293515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).