5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide

C26H24F3N5O2 — CID 163704485

IUPAC5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccccc1C(F)(F)F)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1
InChIInChI=1S/C26H24F3N5O2/c27-26(28,29)22-4-2-1-3-17(22)7-8-30-25(35)24-32-14-18(15-33-24)20-5-6-23-21(20)13-19(16-31-23)34-9-11-36-12-10-34/h1-5,13-16H,6-12H2,(H,30,35)
InChIKeyKDWGLRAFIQVWPE-UHFFFAOYSA-N
MW495.51 g/mol
LogP3.69
Rot. Bonds6

About 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide

5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide (PubChem CID 163704485) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide
PubChem CID163704485
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide
SMILESO=C(NCCc1ccccc1C(F)(F)F)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1
InChIInChI=1S/C26H24F3N5O2/c27-26(28,29)22-4-2-1-3-17(22)7-8-30-25(35)24-32-14-18(15-33-24)20-5-6-23-21(20)13-19(16-31-23)34-9-11-36-12-10-34/h1-5,13-16H,6-12H2,(H,30,35)
InChIKeyKDWGLRAFIQVWPE-UHFFFAOYSA-N
XLogP3.69
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide?
The IUPAC name of 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide (CID 163704485) is 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide is O=C(NCCc1ccccc1C(F)(F)F)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1.
What is the InChIKey of 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide?
The InChIKey is KDWGLRAFIQVWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c27-26(28,29)22-4-2-1-3-17(22)7-8-30-25(35)24-32-14-18(15-33-24)20-5-6-23-21(20)13-19(16-31-23)34-9-11-36-12-10-34/h1-5,13-16H,6-12H2,(H,30,35).
What are the key properties of 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide?
5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide has a molecular weight of 495.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 163704485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).