3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

C22H18FN7O3 — CID 10138578

IUPAC3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2N)C1=O
InChIInChI=1S/C22H18FN7O3/c1-22(2)20(31)30(21(32)33-22)15-10-26-18(27-17(15)24)16-13-7-5-9-25-19(13)29(28-16)11-12-6-3-4-8-14(12)23/h3-10H,11H2,1-2H3,(H2,24,26,27)
InChIKeyZFRCSXVZLBZVPR-UHFFFAOYSA-N
MW447.43 g/mol
LogP2.92
Rot. Bonds4

About 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 10138578) has the molecular formula C22H18FN7O3 and a molecular weight of 447.43 g/mol. Its IUPAC name is 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID10138578
Molecular FormulaC22H18FN7O3
Molecular Weight447.43 g/mol
Exact Mass447.15
IUPAC Name3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2N)C1=O
InChIInChI=1S/C22H18FN7O3/c1-22(2)20(31)30(21(32)33-22)15-10-26-18(27-17(15)24)16-13-7-5-9-25-19(13)29(28-16)11-12-6-3-4-8-14(12)23/h3-10H,11H2,1-2H3,(H2,24,26,27)
InChIKeyZFRCSXVZLBZVPR-UHFFFAOYSA-N
XLogP2.92
TPSA129.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 10138578) is 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2N)C1=O.
What is the InChIKey of 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is ZFRCSXVZLBZVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O3/c1-22(2)20(31)30(21(32)33-22)15-10-26-18(27-17(15)24)16-13-7-5-9-25-19(13)29(28-16)11-12-6-3-4-8-14(12)23/h3-10H,11H2,1-2H3,(H2,24,26,27).
What are the key properties of 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 447.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 10138578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).