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

C16H14F3N5O2 — CID 170316671

IUPAC6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1ncc(C(F)(F)F)c(-c2c[nH]c3nc(C4CNCCO4)ccc23)[nH]1
InChIInChI=1S/C16H14F3N5O2/c17-16(18,19)10-6-22-15(25)24-13(10)9-5-21-14-8(9)1-2-11(23-14)12-7-20-3-4-26-12/h1-2,5-6,12,20H,3-4,7H2,(H,21,23)(H,22,24,25)
InChIKeySWKMMJOTUIUELO-UHFFFAOYSA-N
MW365.32 g/mol
LogP1.99
Rot. Bonds2

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

6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 170316671) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID170316671
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1ncc(C(F)(F)F)c(-c2c[nH]c3nc(C4CNCCO4)ccc23)[nH]1
InChIInChI=1S/C16H14F3N5O2/c17-16(18,19)10-6-22-15(25)24-13(10)9-5-21-14-8(9)1-2-11(23-14)12-7-20-3-4-26-12/h1-2,5-6,12,20H,3-4,7H2,(H,21,23)(H,22,24,25)
InChIKeySWKMMJOTUIUELO-UHFFFAOYSA-N
XLogP1.99
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 170316651
4-(6-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 175604518
4-[6-(3-ethylmorpholin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 175472186
formic acid;4-[6-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 170317466
(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
CID 95970007
formic acid;4-[6-(3-methyloxan-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 170317500
methyl 3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxylate
CID 175133064
4-[6-(2,3-dihydrofuran-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 167141993
4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 170710859
4-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 167142615
2-morpholin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine
CID 118484407
6-(2-morpholin-2-ylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 174675916

Frequently Asked Questions

What is the IUPAC name of 6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one (CID 170316671) is 6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one is O=c1ncc(C(F)(F)F)c(-c2c[nH]c3nc(C4CNCCO4)ccc23)[nH]1.
What is the InChIKey of 6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is SWKMMJOTUIUELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c17-16(18,19)10-6-22-15(25)24-13(10)9-5-21-14-8(9)1-2-11(23-14)12-7-20-3-4-26-12/h1-2,5-6,12,20H,3-4,7H2,(H,21,23)(H,22,24,25).
What are the key properties of 6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one?
6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 365.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-morpholin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 170316671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).