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

C23H30ClN7O4 — CID 148907710

IUPAC5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cn(C3CCCOC3)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12
InChIInChI=1S/C23H30ClN7O4/c1-23(2,13-32)12-26-21(33)16-9-27-31-19(25-3)8-18(29-20(16)31)28-17-7-14(24)10-30(22(17)34)15-5-4-6-35-11-15/h7-10,15,25,32H,4-6,11-13H2,1-3H3,(H,26,33)(H,28,29)
InChIKeyPIACPENTFFJDCN-UHFFFAOYSA-N
MW503.99 g/mol
LogP2.43
Rot. Bonds8

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

5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 148907710) has the molecular formula C23H30ClN7O4 and a molecular weight of 503.99 g/mol. Its IUPAC name is 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID148907710
Molecular FormulaC23H30ClN7O4
Molecular Weight503.99 g/mol
Exact Mass503.20
IUPAC Name5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cn(C3CCCOC3)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12
InChIInChI=1S/C23H30ClN7O4/c1-23(2,13-32)12-26-21(33)16-9-27-31-19(25-3)8-18(29-20(16)31)28-17-7-14(24)10-30(22(17)34)15-5-4-6-35-11-15/h7-10,15,25,32H,4-6,11-13H2,1-3H3,(H,26,33)(H,28,29)
InChIKeyPIACPENTFFJDCN-UHFFFAOYSA-N
XLogP2.43
TPSA134.81 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.99
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-1-(oxan-3-yl)-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-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 148907710) is 5-[[5-chloro-1-(oxan-3-yl)-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-[[5-chloro-1-(oxan-3-yl)-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-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(Cl)cn(C3CCCOC3)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12.
What is the InChIKey of 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PIACPENTFFJDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN7O4/c1-23(2,13-32)12-26-21(33)16-9-27-31-19(25-3)8-18(29-20(16)31)28-17-7-14(24)10-30(22(17)34)15-5-4-6-35-11-15/h7-10,15,25,32H,4-6,11-13H2,1-3H3,(H,26,33)(H,28,29).
What are the key properties of 5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[5-chloro-1-(oxan-3-yl)-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 503.99 g/mol, XLogP of 2.43, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-1-(oxan-3-yl)-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 148907710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).