tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane

C29H38FN7O5 — CID 142523802

About tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane

tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane (PubChem CID 142523802) has the molecular formula C29H38FN7O5 and a molecular weight of 583.67 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane.

Molecular Properties

• Compound Name: tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane
• PubChem CID: 142523802
• Molecular Formula: C29H38FN7O5
• Molecular Weight: 583.67 g/mol
• Exact Mass: 583.29
• IUPAC Name: tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane
• SMILES: CC.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(C3CCC(=O)CC3)c2=O)nc2c(C(=O)NC3CC3F)cnn12
• InChI: InChI=1S/C27H32FN7O5.C2H6/c1-27(2,3)40-26(39)33(4)22-13-21(32-23-17(14-29-35(22)23)24(37)31-20-12-18(20)28)30-19-6-5-11-34(25(19)38)15-7-9-16(36)10-8-15;1-2/h5-6,11,13-15,18,20H,7-10,12H2,1-4H3,(H,30,32)(H,31,37);1-2H3
• InChIKey: PGNRVEXCKPKGQT-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 139.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.67
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane?

The IUPAC name of tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane (CID 142523802) is tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane.

What is the SMILES notation for tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane?

The canonical SMILES for tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane is CC.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(C3CCC(=O)CC3)c2=O)nc2c(C(=O)NC3CC3F)cnn12.

What is the InChIKey of tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane?

The InChIKey is PGNRVEXCKPKGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O5.C2H6/c1-27(2,3)40-26(39)33(4)22-13-21(32-23-17(14-29-35(22)23)24(37)31-20-12-18(20)28)30-19-6-5-11-34(25(19)38)15-7-9-16(36)10-8-15;1-2/h5-6,11,13-15,18,20H,7-10,12H2,1-4H3,(H,30,32)(H,31,37);1-2H3.

What are the key properties of tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane?

tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane has a molecular weight of 583.67 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[(2-fluorocyclopropyl)carbamoyl]-5-[[2-oxo-1-(4-oxocyclohexyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethane is sourced from PubChem (CID 142523802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).