4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C20H15FN6O — CID 162648141

IUPAC4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESNc1nc(-n2nc(Cc3ccccc3F)c3ccccc32)nc2c1CC(=O)N2
InChIInChI=1S/C20H15FN6O/c21-14-7-3-1-5-11(14)9-15-12-6-2-4-8-16(12)27(26-15)20-24-18(22)13-10-17(28)23-19(13)25-20/h1-8H,9-10H2,(H3,22,23,24,25,28)
InChIKeyOGULUERTKSTMEQ-UHFFFAOYSA-N
MW374.38 g/mol
LogP2.62
Rot. Bonds3

About 4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 162648141) has the molecular formula C20H15FN6O and a molecular weight of 374.38 g/mol. Its IUPAC name is 4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID162648141
Molecular FormulaC20H15FN6O
Molecular Weight374.38 g/mol
Exact Mass374.13
IUPAC Name4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESNc1nc(-n2nc(Cc3ccccc3F)c3ccccc32)nc2c1CC(=O)N2
InChIInChI=1S/C20H15FN6O/c21-14-7-3-1-5-11(14)9-15-12-6-2-4-8-16(12)27(26-15)20-24-18(22)13-10-17(28)23-19(13)25-20/h1-8H,9-10H2,(H3,22,23,24,25,28)
InChIKeyOGULUERTKSTMEQ-UHFFFAOYSA-N
XLogP2.62
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 162648141) is 4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is Nc1nc(-n2nc(Cc3ccccc3F)c3ccccc32)nc2c1CC(=O)N2.
What is the InChIKey of 4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is OGULUERTKSTMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O/c21-14-7-3-1-5-11(14)9-15-12-6-2-4-8-16(12)27(26-15)20-24-18(22)13-10-17(28)23-19(13)25-20/h1-8H,9-10H2,(H3,22,23,24,25,28).
What are the key properties of 4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 374.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 162648141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).