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

C19H14F3N7O — CID 126537454

IUPACN-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nccc(Nc2nc(-c3cccc(C(F)F)n3)nc3[nH]ccc23)c1F
InChIInChI=1S/C19H14F3N7O/c1-9(30)25-19-14(20)11(6-8-24-19)27-17-10-5-7-23-16(10)28-18(29-17)13-4-2-3-12(26-13)15(21)22/h2-8,15H,1H3,(H3,23,24,25,27,28,29,30)
InChIKeyFQGYQQGUCPMFQY-UHFFFAOYSA-N
MW413.36 g/mol
LogP4.19
Rot. Bonds5

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

N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide (PubChem CID 126537454) has the molecular formula C19H14F3N7O and a molecular weight of 413.36 g/mol. Its IUPAC name is N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide
PubChem CID126537454
Molecular FormulaC19H14F3N7O
Molecular Weight413.36 g/mol
Exact Mass413.12
IUPAC NameN-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nccc(Nc2nc(-c3cccc(C(F)F)n3)nc3[nH]ccc23)c1F
InChIInChI=1S/C19H14F3N7O/c1-9(30)25-19-14(20)11(6-8-24-19)27-17-10-5-7-23-16(10)28-18(29-17)13-4-2-3-12(26-13)15(21)22/h2-8,15H,1H3,(H3,23,24,25,27,28,29,30)
InChIKeyFQGYQQGUCPMFQY-UHFFFAOYSA-N
XLogP4.19
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide (CID 126537454) is N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide is CC(=O)Nc1nccc(Nc2nc(-c3cccc(C(F)F)n3)nc3[nH]ccc23)c1F.
What is the InChIKey of N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide?
The InChIKey is FQGYQQGUCPMFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7O/c1-9(30)25-19-14(20)11(6-8-24-19)27-17-10-5-7-23-16(10)28-18(29-17)13-4-2-3-12(26-13)15(21)22/h2-8,15H,1H3,(H3,23,24,25,27,28,29,30).
What are the key properties of N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide?
N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide has a molecular weight of 413.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-fluoro-2-pyridinyl]acetamide is sourced from PubChem (CID 126537454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).