N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H23F4N11O3 — CID 155410358

About N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155410358) has the molecular formula C25H23F4N11O3 and a molecular weight of 601.53 g/mol. Its IUPAC name is N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 155410358
• Molecular Formula: C25H23F4N11O3
• Molecular Weight: 601.53 g/mol
• Exact Mass: 601.19
• IUPAC Name: N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CC(Cn2nnc(Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(OC(F)F)ccc4OC(F)F)n3)n2)C1
• InChI: InChI=1S/C25H23F4N11O3/c1-37-9-14(10-37)11-40-34-20(33-36-40)13-38-12-18(32-23(41)17-8-31-39-6-2-5-30-22(17)39)21(35-38)16-7-15(42-24(26)27)3-4-19(16)43-25(28)29/h2-8,12,14,24-25H,9-11,13H2,1H3,(H,32,41)
• InChIKey: UXGPNVKWNCGPEM-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 142.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.53
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155410358) is N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CC(Cn2nnc(Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(OC(F)F)ccc4OC(F)F)n3)n2)C1.

What is the InChIKey of N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UXGPNVKWNCGPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N11O3/c1-37-9-14(10-37)11-40-34-20(33-36-40)13-38-12-18(32-23(41)17-8-31-39-6-2-5-30-22(17)39)21(35-38)16-7-15(42-24(26)27)3-4-19(16)43-25(28)29/h2-8,12,14,24-25H,9-11,13H2,1H3,(H,32,41).

What are the key properties of N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 601.53 g/mol, XLogP of 2.64, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2,5-bis(difluoromethoxy)phenyl]-1-[[2-[(1-methylazetidin-3-yl)methyl]tetrazol-5-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155410358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).