2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide

C23H21F3N8O2 — CID 126537541

IUPAC2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc3[nH]ccc23)ccn1
InChIInChI=1S/C23H21F3N8O2/c24-23(25,26)17-3-1-2-16(30-17)22-32-20-15(5-7-28-20)21(33-22)29-14-4-6-27-18(12-14)31-19(35)13-34-8-10-36-11-9-34/h1-7,12H,8-11,13H2,(H3,27,28,29,31,32,33,35)
InChIKeyKRVHXGZULHUYFP-UHFFFAOYSA-N
MW498.47 g/mol
LogP3.45
Rot. Bonds6

About 2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide

2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 126537541) has the molecular formula C23H21F3N8O2 and a molecular weight of 498.47 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
PubChem CID126537541
Molecular FormulaC23H21F3N8O2
Molecular Weight498.47 g/mol
Exact Mass498.17
IUPAC Name2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc3[nH]ccc23)ccn1
InChIInChI=1S/C23H21F3N8O2/c24-23(25,26)17-3-1-2-16(30-17)22-32-20-15(5-7-28-20)21(33-22)29-14-4-6-27-18(12-14)31-19(35)13-34-8-10-36-11-9-34/h1-7,12H,8-11,13H2,(H3,27,28,29,31,32,33,35)
InChIKeyKRVHXGZULHUYFP-UHFFFAOYSA-N
XLogP3.45
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide (CID 126537541) is 2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide is O=C(CN1CCOCC1)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc3[nH]ccc23)ccn1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is KRVHXGZULHUYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N8O2/c24-23(25,26)17-3-1-2-16(30-17)22-32-20-15(5-7-28-20)21(33-22)29-14-4-6-27-18(12-14)31-19(35)13-34-8-10-36-11-9-34/h1-7,12H,8-11,13H2,(H3,27,28,29,31,32,33,35).
What are the key properties of 2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide?
2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 498.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 126537541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).