4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine

C20H21F3N6O2 — CID 141432896

IUPAC4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cnc2[nH]ccc12
InChIInChI=1S/C20H21F3N6O2/c21-20(22,23)17-13-1-2-24-18(13)25-12-14(17)15-11-16(28-3-7-30-8-4-28)27-19(26-15)29-5-9-31-10-6-29/h1-2,11-12H,3-10H2,(H,24,25)
InChIKeyPVCXBBLFKAISNI-UHFFFAOYSA-N
MW434.42 g/mol
LogP2.71
Rot. Bonds3

About 4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine

4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine (PubChem CID 141432896) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine
PubChem CID141432896
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC Name4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cnc2[nH]ccc12
InChIInChI=1S/C20H21F3N6O2/c21-20(22,23)17-13-1-2-24-18(13)25-12-14(17)15-11-16(28-3-7-30-8-4-28)27-19(26-15)29-5-9-31-10-6-29/h1-2,11-12H,3-10H2,(H,24,25)
InChIKeyPVCXBBLFKAISNI-UHFFFAOYSA-N
XLogP2.71
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 151222565
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea
CID 141438349
4-[4-(4-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]morpholine
CID 174958810
3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline
CID 90408360
4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine
CID 143514854
5-[6-[3-(4-fluorophenyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507849
N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide
CID 118565656
2-[5-[2-morpholin-4-yl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)-2-pyridinyl]-N-propylethanimine
CID 162557595
5-[2-morpholin-4-yl-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507653
4-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholine
CID 141372459
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493

Frequently Asked Questions

What is the IUPAC name of 4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine (CID 141432896) is 4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine is FC(F)(F)c1c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cnc2[nH]ccc12.
What is the InChIKey of 4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine?
The InChIKey is PVCXBBLFKAISNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c21-20(22,23)17-13-1-2-24-18(13)25-12-14(17)15-11-16(28-3-7-30-8-4-28)27-19(26-15)29-5-9-31-10-6-29/h1-2,11-12H,3-10H2,(H,24,25).
What are the key properties of 4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine?
4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine has a molecular weight of 434.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-morpholin-4-yl-6-[4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 141432896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).