N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C29H27F2N7O4 — CID 164730019

About N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164730019) has the molecular formula C29H27F2N7O4 and a molecular weight of 575.58 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 164730019
• Molecular Formula: C29H27F2N7O4
• Molecular Weight: 575.58 g/mol
• Exact Mass: 575.21
• IUPAC Name: N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cccc(CN4CCOCC4)c3)ccc2OC(F)F)n1
• InChI: InChI=1S/C29H27F2N7O4/c1-36-18-24(34-28(39)23-16-33-38-9-3-8-32-27(23)38)26(35-36)22-15-21(6-7-25(22)42-29(30)31)41-20-5-2-4-19(14-20)17-37-10-12-40-13-11-37/h2-9,14-16,18,29H,10-13,17H2,1H3,(H,34,39)
• InChIKey: ZLPKVFGMLIAYNB-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 108.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.58
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164730019) is N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3cccc(CN4CCOCC4)c3)ccc2OC(F)F)n1.

What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZLPKVFGMLIAYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N7O4/c1-36-18-24(34-28(39)23-16-33-38-9-3-8-32-27(23)38)26(35-36)22-15-21(6-7-25(22)42-29(30)31)41-20-5-2-4-19(14-20)17-37-10-12-40-13-11-37/h2-9,14-16,18,29H,10-13,17H2,1H3,(H,34,39).

What are the key properties of N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 575.58 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(difluoromethoxy)-5-[3-(morpholin-4-ylmethyl)phenoxy]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164730019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).