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

C20H25F2N7O2 — CID 146383333

IUPAC5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2C(C)(F)F)nc2c(C(=O)NCC(C)(C)CO)cnn12
InChIInChI=1S/C20H25F2N7O2/c1-19(2,11-30)10-25-18(31)12-9-26-29-15(23-4)8-14(28-17(12)29)27-13-6-5-7-24-16(13)20(3,21)22/h5-9,23,30H,10-11H2,1-4H3,(H,25,31)(H,27,28)
InChIKeyVCDVNEMVASLOTG-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.77
Rot. Bonds8

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

5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383333) has the molecular formula C20H25F2N7O2 and a molecular weight of 433.46 g/mol. Its IUPAC name is 5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146383333
Molecular FormulaC20H25F2N7O2
Molecular Weight433.46 g/mol
Exact Mass433.20
IUPAC Name5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2C(C)(F)F)nc2c(C(=O)NCC(C)(C)CO)cnn12
InChIInChI=1S/C20H25F2N7O2/c1-19(2,11-30)10-25-18(31)12-9-26-29-15(23-4)8-14(28-17(12)29)27-13-6-5-7-24-16(13)20(3,21)22/h5-9,23,30H,10-11H2,1-4H3,(H,25,31)(H,27,28)
InChIKeyVCDVNEMVASLOTG-UHFFFAOYSA-N
XLogP2.77
TPSA116.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383333) is 5-[[2-(1,1-difluoroethyl)-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-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2C(C)(F)F)nc2c(C(=O)NCC(C)(C)CO)cnn12.
What is the InChIKey of 5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VCDVNEMVASLOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N7O2/c1-19(2,11-30)10-25-18(31)12-9-26-29-15(23-4)8-14(28-17(12)29)27-13-6-5-7-24-16(13)20(3,21)22/h5-9,23,30H,10-11H2,1-4H3,(H,25,31)(H,27,28).
What are the key properties of 5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1,1-difluoroethyl)-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).