5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine

C21H15F2N5 — CID 137443002

IUPAC5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1cc(-c2ccc3nn(Cc4cc(F)cc(F)c4)cc3c2)c2cncnc21
InChIInChI=1S/C21H15F2N5/c1-27-11-19(18-8-24-12-25-21(18)27)14-2-3-20-15(6-14)10-28(26-20)9-13-4-16(22)7-17(23)5-13/h2-8,10-12H,9H2,1H3
InChIKeyLZYBCRBBJSYNQO-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.31
Rot. Bonds3

About 5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine

5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 137443002) has the molecular formula C21H15F2N5 and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID137443002
Molecular FormulaC21H15F2N5
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC Name5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1cc(-c2ccc3nn(Cc4cc(F)cc(F)c4)cc3c2)c2cncnc21
InChIInChI=1S/C21H15F2N5/c1-27-11-19(18-8-24-12-25-21(18)27)14-2-3-20-15(6-14)10-28(26-20)9-13-4-16(22)7-17(23)5-13/h2-8,10-12H,9H2,1H3
InChIKeyLZYBCRBBJSYNQO-UHFFFAOYSA-N
XLogP4.31
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine (CID 137443002) is 5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine is Cn1cc(-c2ccc3nn(Cc4cc(F)cc(F)c4)cc3c2)c2cncnc21.
What is the InChIKey of 5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is LZYBCRBBJSYNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5/c1-27-11-19(18-8-24-12-25-21(18)27)14-2-3-20-15(6-14)10-28(26-20)9-13-4-16(22)7-17(23)5-13/h2-8,10-12H,9H2,1H3.
What are the key properties of 5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine?
5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 375.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3,5-difluorophenyl)methyl]indazol-5-yl]-7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 137443002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).