5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19F2N7O2 — CID 146426588

IUPAC5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(NC)cc(Nc3cccn(C4CC(F)(F)C4)c3=O)nc12
InChIInChI=1S/C18H19F2N7O2/c1-21-14-6-13(25-15-11(16(28)22-2)9-23-27(14)15)24-12-4-3-5-26(17(12)29)10-7-18(19,20)8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H,22,28)(H,24,25)
InChIKeyPCAUEAFLHYKWDZ-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.01
Rot. Bonds5

About 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146426588) has the molecular formula C18H19F2N7O2 and a molecular weight of 403.39 g/mol. Its IUPAC name is 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146426588
Molecular FormulaC18H19F2N7O2
Molecular Weight403.39 g/mol
Exact Mass403.16
IUPAC Name5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(NC)cc(Nc3cccn(C4CC(F)(F)C4)c3=O)nc12
InChIInChI=1S/C18H19F2N7O2/c1-21-14-6-13(25-15-11(16(28)22-2)9-23-27(14)15)24-12-4-3-5-26(17(12)29)10-7-18(19,20)8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H,22,28)(H,24,25)
InChIKeyPCAUEAFLHYKWDZ-UHFFFAOYSA-N
XLogP2.01
TPSA105.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146426588) is 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c(NC)cc(Nc3cccn(C4CC(F)(F)C4)c3=O)nc12.
What is the InChIKey of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PCAUEAFLHYKWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O2/c1-21-14-6-13(25-15-11(16(28)22-2)9-23-27(14)15)24-12-4-3-5-26(17(12)29)10-7-18(19,20)8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H,22,28)(H,24,25).
What are the key properties of 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146426588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).