5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H24FN7O3 — CID 137450311

IUPAC5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cccc(F)c3)c2=O)nc2c(C(=O)NC[C@H](C)CO)cnn12
InChIInChI=1S/C23H24FN7O3/c1-14(13-32)11-26-22(33)17-12-27-31-20(25-2)10-19(29-21(17)31)28-18-7-4-8-30(23(18)34)16-6-3-5-15(24)9-16/h3-10,12,14,25,32H,11,13H2,1-2H3,(H,26,33)(H,28,29)/t14-/m0/s1
InChIKeyJDLVZMHSIFIHGB-AWEZNQCLSA-N
MW465.49 g/mol
LogP2.16
Rot. Bonds8

About 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450311) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450311
Molecular FormulaC23H24FN7O3
Molecular Weight465.49 g/mol
Exact Mass465.19
IUPAC Name5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cccc(F)c3)c2=O)nc2c(C(=O)NC[C@H](C)CO)cnn12
InChIInChI=1S/C23H24FN7O3/c1-14(13-32)11-26-22(33)17-12-27-31-20(25-2)10-19(29-21(17)31)28-18-7-4-8-30(23(18)34)16-6-3-5-15(24)9-16/h3-10,12,14,25,32H,11,13H2,1-2H3,(H,26,33)(H,28,29)/t14-/m0/s1
InChIKeyJDLVZMHSIFIHGB-AWEZNQCLSA-N
XLogP2.16
TPSA125.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450311) is 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cccc(F)c3)c2=O)nc2c(C(=O)NC[C@H](C)CO)cnn12.
What is the InChIKey of 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JDLVZMHSIFIHGB-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-14(13-32)11-26-22(33)17-12-27-31-20(25-2)10-19(29-21(17)31)28-18-7-4-8-30(23(18)34)16-6-3-5-15(24)9-16/h3-10,12,14,25,32H,11,13H2,1-2H3,(H,26,33)(H,28,29)/t14-/m0/s1.
What are the key properties of 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 2.16, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).