(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine

C21H20F3N7O — CID 118869207

IUPAC(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccnn2CC(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H20F3N7O/c1-13-11-32-9-8-30(13)18-10-15(17-4-7-27-31(17)12-21(22,23)24)14-2-5-25-20(19(14)28-18)16-3-6-26-29-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,29)/t13-/m1/s1
InChIKeyIVSMTPLDAJALFA-CYBMUJFWSA-N
MW443.43 g/mol
LogP3.67
Rot. Bonds4

About (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine

(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869207) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869207
Molecular FormulaC21H20F3N7O
Molecular Weight443.43 g/mol
Exact Mass443.17
IUPAC Name(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccnn2CC(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H20F3N7O/c1-13-11-32-9-8-30(13)18-10-15(17-4-7-27-31(17)12-21(22,23)24)14-2-5-25-20(19(14)28-18)16-3-6-26-29-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,29)/t13-/m1/s1
InChIKeyIVSMTPLDAJALFA-CYBMUJFWSA-N
XLogP3.67
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine (CID 118869207) is (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine is C[C@@H]1COCCN1c1cc(-c2ccnn2CC(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is IVSMTPLDAJALFA-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20F3N7O/c1-13-11-32-9-8-30(13)18-10-15(17-4-7-27-31(17)12-21(22,23)24)14-2-5-25-20(19(14)28-18)16-3-6-26-29-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,26,29)/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 443.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).