2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one

C24H19FN8O — CID 71612650

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(-c3ccn[nH]3)c21
InChIInChI=1S/C24H19FN8O/c1-24(2)17-19(16-9-11-27-31-16)28-21(29-20(17)30-23(24)34)18-14-7-5-10-26-22(14)33(32-18)12-13-6-3-4-8-15(13)25/h3-11H,12H2,1-2H3,(H,27,31)(H,28,29,30,34)
InChIKeyPFWUTVWOUOQIFU-UHFFFAOYSA-N
MW454.47 g/mol
LogP3.70
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 71612650) has the molecular formula C24H19FN8O and a molecular weight of 454.47 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID71612650
Molecular FormulaC24H19FN8O
Molecular Weight454.47 g/mol
Exact Mass454.17
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(-c3ccn[nH]3)c21
InChIInChI=1S/C24H19FN8O/c1-24(2)17-19(16-9-11-27-31-16)28-21(29-20(17)30-23(24)34)18-14-7-5-10-26-22(14)33(32-18)12-13-6-3-4-8-15(13)25/h3-11H,12H2,1-2H3,(H,27,31)(H,28,29,30,34)
InChIKeyPFWUTVWOUOQIFU-UHFFFAOYSA-N
XLogP3.70
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 71612650) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(-c3ccn[nH]3)c21.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is PFWUTVWOUOQIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8O/c1-24(2)17-19(16-9-11-27-31-16)28-21(29-20(17)30-23(24)34)18-14-7-5-10-26-22(14)33(32-18)12-13-6-3-4-8-15(13)25/h3-11H,12H2,1-2H3,(H,27,31)(H,28,29,30,34).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 454.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(1H-pyrazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 71612650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).