1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one

C22H20FN7O — CID 10295439

IUPAC1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
InChIInChI=1S/C22H20FN7O/c1-13-8-9-18(31)30(13)17-11-26-21(27-20(17)24)19-15-6-4-10-25-22(15)29(28-19)12-14-5-2-3-7-16(14)23/h2-7,10-11,13H,8-9,12H2,1H3,(H2,24,26,27)
InChIKeyXJPXYRFPYGLCFR-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.17
Rot. Bonds4

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

1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one (PubChem CID 10295439) has the molecular formula C22H20FN7O and a molecular weight of 417.45 g/mol. Its IUPAC name is 1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one
PubChem CID10295439
Molecular FormulaC22H20FN7O
Molecular Weight417.45 g/mol
Exact Mass417.17
IUPAC Name1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
InChIInChI=1S/C22H20FN7O/c1-13-8-9-18(31)30(13)17-11-26-21(27-20(17)24)19-15-6-4-10-25-22(15)29(28-19)12-14-5-2-3-7-16(14)23/h2-7,10-11,13H,8-9,12H2,1H3,(H2,24,26,27)
InChIKeyXJPXYRFPYGLCFR-UHFFFAOYSA-N
XLogP3.17
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3-methylpyrrolidin-2-one
CID 10180212
5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
CID 137444694
[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl] cyclopropanesulfonate
CID 12967442
5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 163681818
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 131874918
5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
CID 66635083
5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid
CID 158125501
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione
CID 56598243
3-[4,6-diamino-5-(sulfinamoylamino)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
CID 130245216
6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
CID 71612612
5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 174695552
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1-methylsulfinylethyl)pyrimidine-4,6-diamine
CID 157098050

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one?
The IUPAC name of 1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one (CID 10295439) is 1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one is CC1CCC(=O)N1c1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N.
What is the InChIKey of 1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one?
The InChIKey is XJPXYRFPYGLCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O/c1-13-8-9-18(31)30(13)17-11-26-21(27-20(17)24)19-15-6-4-10-25-22(15)29(28-19)12-14-5-2-3-7-16(14)23/h2-7,10-11,13H,8-9,12H2,1H3,(H2,24,26,27).
What are the key properties of 1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one?
1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one has a molecular weight of 417.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 10295439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).