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

C20H19FN6O — CID 148586929

IUPAC(3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccccc2F)c2cnn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C20H19FN6O/c1-13-12-28-9-8-26(13)19-10-15(14-4-2-3-5-17(14)21)16-11-23-27(20(16)24-19)18-6-7-22-25-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyMZWRPOOQAVEZOO-CYBMUJFWSA-N
MW378.41 g/mol
LogP3.17
Rot. Bonds3

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

(3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine (PubChem CID 148586929) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is (3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine
PubChem CID148586929
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name(3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccccc2F)c2cnn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C20H19FN6O/c1-13-12-28-9-8-26(13)19-10-15(14-4-2-3-5-17(14)21)16-11-23-27(20(16)24-19)18-6-7-22-25-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyMZWRPOOQAVEZOO-CYBMUJFWSA-N
XLogP3.17
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine (CID 148586929) is (3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2ccccc2F)c2cnn(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine?
The InChIKey is MZWRPOOQAVEZOO-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-13-12-28-9-8-26(13)19-10-15(14-4-2-3-5-17(14)21)16-11-23-27(20(16)24-19)18-6-7-22-25-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,25)/t13-/m1/s1.
What are the key properties of (3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine?
(3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine has a molecular weight of 378.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(2-fluorophenyl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-methylmorpholine is sourced from PubChem (CID 148586929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).