N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C39H48F2N12O5 — CID 169121051

About N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 169121051) has the molecular formula C39H48F2N12O5 and a molecular weight of 802.89 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• PubChem CID: 169121051
• Molecular Formula: C39H48F2N12O5
• Molecular Weight: 802.89 g/mol
• Exact Mass: 802.38
• IUPAC Name: N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• SMILES: CN(C)C1CN(c2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)C1.O=C(Nc1cn(C2CCCCC2)nc1C(F)F)c1cnn2ccc(N3CCOCC3)nc12
• InChI: InChI=1S/C21H25F2N7O2.C18H23N5O3/c22-19(23)18-16(13-30(27-18)14-4-2-1-3-5-14)25-21(31)15-12-24-29-7-6-17(26-20(15)29)28-8-10-32-11-9-28;1-20(2)11-9-22(10-11)12-5-4-6-13-16(12)21(3)18(26)23(13)14-7-8-15(24)19-17(14)25/h6-7,12-14,19H,1-5,8-11H2,(H,25,31);4-6,11,14H,7-10H2,1-3H3,(H,19,24,25)
• InChIKey: PRXPIDXHJWMFIY-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 169.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.89
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The IUPAC name of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 169121051) is N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The canonical SMILES for N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is CN(C)C1CN(c2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)C1.O=C(Nc1cn(C2CCCCC2)nc1C(F)F)c1cnn2ccc(N3CCOCC3)nc12.

What is the InChIKey of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The InChIKey is PRXPIDXHJWMFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N7O2.C18H23N5O3/c22-19(23)18-16(13-30(27-18)14-4-2-1-3-5-14)25-21(31)15-12-24-29-7-6-17(26-20(15)29)28-8-10-32-11-9-28;1-20(2)11-9-22(10-11)12-5-4-6-13-16(12)21(3)18(26)23(13)14-7-8-15(24)19-17(14)25/h6-7,12-14,19H,1-5,8-11H2,(H,25,31);4-6,11,14H,7-10H2,1-3H3,(H,19,24,25).

What are the key properties of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 802.89 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;3-[4-[3-(dimethylamino)azetidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 169121051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).