2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine

C19H12F2N6 — CID 126537533

IUPAC2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESFC(F)c1cccc(-c2nc(-n3ccc4cnccc43)c3cc[nH]c3n2)n1
InChIInChI=1S/C19H12F2N6/c20-16(21)13-2-1-3-14(24-13)18-25-17-12(4-8-23-17)19(26-18)27-9-6-11-10-22-7-5-15(11)27/h1-10,16H,(H,23,25,26)
InChIKeyNHXWKPGFUOSQCJ-UHFFFAOYSA-N
MW362.34 g/mol
LogP4.30
Rot. Bonds3

About 2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine

2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 126537533) has the molecular formula C19H12F2N6 and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID126537533
Molecular FormulaC19H12F2N6
Molecular Weight362.34 g/mol
Exact Mass362.11
IUPAC Name2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESFC(F)c1cccc(-c2nc(-n3ccc4cnccc43)c3cc[nH]c3n2)n1
InChIInChI=1S/C19H12F2N6/c20-16(21)13-2-1-3-14(24-13)18-25-17-12(4-8-23-17)19(26-18)27-9-6-11-10-22-7-5-15(11)27/h1-10,16H,(H,23,25,26)
InChIKeyNHXWKPGFUOSQCJ-UHFFFAOYSA-N
XLogP4.30
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine (CID 126537533) is 2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine is FC(F)c1cccc(-c2nc(-n3ccc4cnccc43)c3cc[nH]c3n2)n1.
What is the InChIKey of 2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is NHXWKPGFUOSQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N6/c20-16(21)13-2-1-3-14(24-13)18-25-17-12(4-8-23-17)19(26-18)27-9-6-11-10-22-7-5-15(11)27/h1-10,16H,(H,23,25,26).
What are the key properties of 2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 362.34 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-2-pyridinyl]-4-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 126537533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).