6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide

C24H20FN11O — CID 145023343

IUPAC6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCC1(C)C(N)=Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(C(=O)Nc3ncn[nH]3)c21
InChIInChI=1S/C24H20FN11O/c1-24(2)15-17(21(37)33-23-28-11-29-34-23)30-19(31-18(15)32-22(24)26)16-13-7-5-9-27-20(13)36(35-16)10-12-6-3-4-8-14(12)25/h3-9,11H,10H2,1-2H3,(H2,26,30,31,32)(H2,28,29,33,34,37)
InChIKeyPPDFNOPRKYMEBS-UHFFFAOYSA-N
MW497.50 g/mol
LogP2.73
Rot. Bonds5

About 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide

6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 145023343) has the molecular formula C24H20FN11O and a molecular weight of 497.50 g/mol. Its IUPAC name is 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID145023343
Molecular FormulaC24H20FN11O
Molecular Weight497.50 g/mol
Exact Mass497.18
IUPAC Name6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCC1(C)C(N)=Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(C(=O)Nc3ncn[nH]3)c21
InChIInChI=1S/C24H20FN11O/c1-24(2)15-17(21(37)33-23-28-11-29-34-23)30-19(31-18(15)32-22(24)26)16-13-7-5-9-27-20(13)36(35-16)10-12-6-3-4-8-14(12)25/h3-9,11H,10H2,1-2H3,(H2,26,30,31,32)(H2,28,29,33,34,37)
InChIKeyPPDFNOPRKYMEBS-UHFFFAOYSA-N
XLogP2.73
TPSA165.54 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 145023295
6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 145023296
6-amino-N-(3,3-dimethylbutyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 145023354
6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(furan-2-ylmethyl)-5,5-dimethylpyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 145023275
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)acetyl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158650275
N-[2-(dimethylamino)ethyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 130319483
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(3-methyl-4-pyridinyl)-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 130319689
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 130319600
ethyl 5,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 66614118
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-N-(3-oxopentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 130319461
(2R)-4-[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methyl-4-oxobutanamide
CID 147724942
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(5-methylhexanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159368778

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 145023343) is 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide is CC1(C)C(N)=Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(C(=O)Nc3ncn[nH]3)c21.
What is the InChIKey of 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is PPDFNOPRKYMEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN11O/c1-24(2)15-17(21(37)33-23-28-11-29-34-23)30-19(31-18(15)32-22(24)26)16-13-7-5-9-27-20(13)36(35-16)10-12-6-3-4-8-14(12)25/h3-9,11H,10H2,1-2H3,(H2,26,30,31,32)(H2,28,29,33,34,37).
What are the key properties of 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide?
6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 497.50 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 145023343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).