5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane

C24H33ClN8O2 — CID 142523620

IUPAC5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane
SMILESC1CCC1.CNC(=O)c1cnn2c(NC)cc(Nc3cc(Cl)cn(C4CCN(C)CC4)c3=O)nc12
InChIInChI=1S/C20H25ClN8O2.C4H8/c1-22-17-9-16(26-18-14(19(30)23-2)10-24-29(17)18)25-15-8-12(21)11-28(20(15)31)13-4-6-27(3)7-5-13;1-2-4-3-1/h8-11,13,22H,4-7H2,1-3H3,(H,23,30)(H,25,26);1-4H2
InChIKeyYUWNVMFBQZGTDX-UHFFFAOYSA-N
MW501.04 g/mol
LogP3.52
Rot. Bonds5

About 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane

5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane (PubChem CID 142523620) has the molecular formula C24H33ClN8O2 and a molecular weight of 501.04 g/mol. Its IUPAC name is 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane.

Molecular Properties

Compound Name5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane
PubChem CID142523620
Molecular FormulaC24H33ClN8O2
Molecular Weight501.04 g/mol
Exact Mass500.24
IUPAC Name5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane
SMILESC1CCC1.CNC(=O)c1cnn2c(NC)cc(Nc3cc(Cl)cn(C4CCN(C)CC4)c3=O)nc12
InChIInChI=1S/C20H25ClN8O2.C4H8/c1-22-17-9-16(26-18-14(19(30)23-2)10-24-29(17)18)25-15-8-12(21)11-28(20(15)31)13-4-6-27(3)7-5-13;1-2-4-3-1/h8-11,13,22H,4-7H2,1-3H3,(H,23,30)(H,25,26);1-4H2
InChIKeyYUWNVMFBQZGTDX-UHFFFAOYSA-N
XLogP3.52
TPSA108.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.04
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane?
The IUPAC name of 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane (CID 142523620) is 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane.
What is the SMILES notation for 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane?
The canonical SMILES for 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane is C1CCC1.CNC(=O)c1cnn2c(NC)cc(Nc3cc(Cl)cn(C4CCN(C)CC4)c3=O)nc12.
What is the InChIKey of 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane?
The InChIKey is YUWNVMFBQZGTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN8O2.C4H8/c1-22-17-9-16(26-18-14(19(30)23-2)10-24-29(17)18)25-15-8-12(21)11-28(20(15)31)13-4-6-27(3)7-5-13;1-2-4-3-1/h8-11,13,22H,4-7H2,1-3H3,(H,23,30)(H,25,26);1-4H2.
What are the key properties of 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane?
5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane has a molecular weight of 501.04 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane is sourced from PubChem (CID 142523620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).