5-[[1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H24F2N8O2 — CID 137449957

IUPAC5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC1=CC(=NC2=C(C=NN12)C(=O)N)NC3=CC=CN(C3=O)C4CCN(CC4)CC(F)F
InChIInChI=1S/C20H24F2N8O2/c1-24-17-9-16(27-19-13(18(23)31)10-25-30(17)19)26-14-3-2-6-29(20(14)32)12-4-7-28(8-5-12)11-15(21)22/h2-3,6,9-10,12,15,24H,4-5,7-8,11H2,1H3,(H2,23,31)(H,26,27)
InChIKeyYSTZWRNLCKQYDN-UHFFFAOYSA-N
MW446.50 g/mol
LogP1.50
Rot. Bonds7

About 5-[[1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449957) has the molecular formula C20H24F2N8O2 and a molecular weight of 446.50 g/mol. Its IUPAC name is 5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449957
Molecular FormulaC20H24F2N8O2
Molecular Weight446.50 g/mol
Exact Mass446.20
IUPAC Name5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC1=CC(=NC2=C(C=NN12)C(=O)N)NC3=CC=CN(C3=O)C4CCN(CC4)CC(F)F
InChIInChI=1S/C20H24F2N8O2/c1-24-17-9-16(27-19-13(18(23)31)10-25-30(17)19)26-14-3-2-6-29(20(14)32)12-4-7-28(8-5-12)11-15(21)22/h2-3,6,9-10,12,15,24H,4-5,7-8,11H2,1H3,(H2,23,31)(H,26,27)
InChIKeyYSTZWRNLCKQYDN-UHFFFAOYSA-N
XLogP1.50
TPSA121.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity771

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449957) is 5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC1=CC(=NC2=C(C=NN12)C(=O)N)NC3=CC=CN(C3=O)C4CCN(CC4)CC(F)F.
What is the InChIKey of 5-[[1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YSTZWRNLCKQYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N8O2/c1-24-17-9-16(27-19-13(18(23)31)10-25-30(17)19)26-14-3-2-6-29(20(14)32)12-4-7-28(8-5-12)11-15(21)22/h2-3,6,9-10,12,15,24H,4-5,7-8,11H2,1H3,(H2,23,31)(H,26,27).
What are the key properties of 5-[[1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-2-oxopyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).