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

C22H20FN7O — CID 10180212

IUPAC1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3-methylpyrrolidin-2-one
SMILESCC1CCN(c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2N)C1=O
InChIInChI=1S/C22H20FN7O/c1-13-8-10-29(22(13)31)17-11-26-20(27-19(17)24)18-15-6-4-9-25-21(15)30(28-18)12-14-5-2-3-7-16(14)23/h2-7,9,11,13H,8,10,12H2,1H3,(H2,24,26,27)
InChIKeyFCTOHHDOSKYWCQ-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.03
Rot. Bonds4

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

1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3-methylpyrrolidin-2-one (PubChem CID 10180212) 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]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3-methylpyrrolidin-2-one
PubChem CID10180212
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]-3-methylpyrrolidin-2-one
SMILESCC1CCN(c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2N)C1=O
InChIInChI=1S/C22H20FN7O/c1-13-8-10-29(22(13)31)17-11-26-20(27-19(17)24)18-15-6-4-9-25-21(15)30(28-18)12-14-5-2-3-7-16(14)23/h2-7,9,11,13H,8,10,12H2,1H3,(H2,24,26,27)
InChIKeyFCTOHHDOSKYWCQ-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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]-5-methylpyrrolidin-2-one
CID 10295439
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
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1-methylsulfinylethyl)pyrimidine-4,6-diamine
CID 157098050
4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid
CID 123321161
6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
CID 71612612
3-[4,6-diamino-5-(sulfinamoylamino)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
CID 130245216
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]-5-phenylpyrimidin-4-amine;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-piperidin-1-ylpyrimidine-4,6-diamine
CID 160806724

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]-3-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]-3-methylpyrrolidin-2-one (CID 10180212) is 1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3-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]-3-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]-3-methylpyrrolidin-2-one is CC1CCN(c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2N)C1=O.
What is the InChIKey of 1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3-methylpyrrolidin-2-one?
The InChIKey is FCTOHHDOSKYWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O/c1-13-8-10-29(22(13)31)17-11-26-20(27-19(17)24)18-15-6-4-9-25-21(15)30(28-18)12-14-5-2-3-7-16(14)23/h2-7,9,11,13H,8,10,12H2,1H3,(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]-3-methylpyrrolidin-2-one?
1-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-3-methylpyrrolidin-2-one has a molecular weight of 417.45 g/mol, XLogP of 3.03, 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]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 10180212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).