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

C26H21FN8O — CID 71290266

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(Nc3cccnc3)c21
InChIInChI=1S/C26H21FN8O/c1-26(2)19-21(30-16-8-5-11-28-13-16)31-23(32-22(19)33-25(26)36)20-17-9-6-12-29-24(17)35(34-20)14-15-7-3-4-10-18(15)27/h3-13H,14H2,1-2H3,(H2,30,31,32,33,36)
InChIKeyKIYXLUKLJAUTCM-UHFFFAOYSA-N
MW480.51 g/mol
LogP4.44
Rot. Bonds5

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

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 71290266) has the molecular formula C26H21FN8O and a molecular weight of 480.51 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(pyridin-3-ylamino)-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-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID71290266
Molecular FormulaC26H21FN8O
Molecular Weight480.51 g/mol
Exact Mass480.18
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(Nc3cccnc3)c21
InChIInChI=1S/C26H21FN8O/c1-26(2)19-21(30-16-8-5-11-28-13-16)31-23(32-22(19)33-25(26)36)20-17-9-6-12-29-24(17)35(34-20)14-15-7-3-4-10-18(15)27/h3-13H,14H2,1-2H3,(H2,30,31,32,33,36)
InChIKeyKIYXLUKLJAUTCM-UHFFFAOYSA-N
XLogP4.44
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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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-(pyridin-3-ylamino)-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-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 71290266) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(pyridin-3-ylamino)-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-(pyridin-3-ylamino)-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-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(Nc3cccnc3)c21.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is KIYXLUKLJAUTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN8O/c1-26(2)19-21(30-16-8-5-11-28-13-16)31-23(32-22(19)33-25(26)36)20-17-9-6-12-29-24(17)35(34-20)14-15-7-3-4-10-18(15)27/h3-13H,14H2,1-2H3,(H2,30,31,32,33,36).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 480.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 71290266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).