(3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C21H22FN7O — CID 118869366

IUPAC(3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccn(CCF)n2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H22FN7O/c1-14-13-30-11-10-29(14)19-12-16(17-4-8-28(27-17)9-5-22)15-2-6-23-21(20(15)25-19)18-3-7-24-26-18/h2-4,6-8,12,14H,5,9-11,13H2,1H3,(H,24,26)/t14-/m1/s1
InChIKeyMMNNEVHZNHRHRE-CQSZACIVSA-N
MW407.45 g/mol
LogP3.08
Rot. Bonds5

About (3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 118869366) has the molecular formula C21H22FN7O and a molecular weight of 407.45 g/mol. Its IUPAC name is (3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID118869366
Molecular FormulaC21H22FN7O
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name(3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccn(CCF)n2)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H22FN7O/c1-14-13-30-11-10-29(14)19-12-16(17-4-8-28(27-17)9-5-22)15-2-6-23-21(20(15)25-19)18-3-7-24-26-18/h2-4,6-8,12,14H,5,9-11,13H2,1H3,(H,24,26)/t14-/m1/s1
InChIKeyMMNNEVHZNHRHRE-CQSZACIVSA-N
XLogP3.08
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 118869366) is (3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2ccn(CCF)n2)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is MMNNEVHZNHRHRE-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22FN7O/c1-14-13-30-11-10-29(14)19-12-16(17-4-8-28(27-17)9-5-22)15-2-6-23-21(20(15)25-19)18-3-7-24-26-18/h2-4,6-8,12,14H,5,9-11,13H2,1H3,(H,24,26)/t14-/m1/s1.
What are the key properties of (3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 407.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-[1-(2-fluoroethyl)pyrazol-3-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 118869366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).