5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H26FN7O3 — CID 137449339

IUPAC5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccc(F)cc3)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12
InChIInChI=1S/C24H26FN7O3/c1-24(2,14-33)13-27-22(34)17-12-28-32-20(26-3)11-19(30-21(17)32)29-18-5-4-10-31(23(18)35)16-8-6-15(25)7-9-16/h4-12,26,33H,13-14H2,1-3H3,(H,27,34)(H,29,30)
InChIKeyUCOBZSVVUQKAMJ-UHFFFAOYSA-N
MW479.52 g/mol
LogP2.55
Rot. Bonds8

About 5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449339) has the molecular formula C24H26FN7O3 and a molecular weight of 479.52 g/mol. Its IUPAC name is 5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449339
Molecular FormulaC24H26FN7O3
Molecular Weight479.52 g/mol
Exact Mass479.21
IUPAC Name5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccc(F)cc3)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12
InChIInChI=1S/C24H26FN7O3/c1-24(2,14-33)13-27-22(34)17-12-28-32-20(26-3)11-19(30-21(17)32)29-18-5-4-10-31(23(18)35)16-8-6-15(25)7-9-16/h4-12,26,33H,13-14H2,1-3H3,(H,27,34)(H,29,30)
InChIKeyUCOBZSVVUQKAMJ-UHFFFAOYSA-N
XLogP2.55
TPSA125.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449339) is 5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccc(F)cc3)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12.
What is the InChIKey of 5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UCOBZSVVUQKAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-24(2,14-33)13-27-22(34)17-12-28-32-20(26-3)11-19(30-21(17)32)29-18-5-4-10-31(23(18)35)16-8-6-15(25)7-9-16/h4-12,26,33H,13-14H2,1-3H3,(H,27,34)(H,29,30).
What are the key properties of 5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 2.55, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).