N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C33H34F2N8O4 — CID 135191775

About N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135191775) has the molecular formula C33H34F2N8O4 and a molecular weight of 644.68 g/mol. Its IUPAC name is N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 135191775
• Molecular Formula: C33H34F2N8O4
• Molecular Weight: 644.68 g/mol
• Exact Mass: 644.27
• IUPAC Name: N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1cn(CC(=O)N2CCC(CN3CCOCC3)CC2)nc1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12
• InChI: InChI=1S/C33H34F2N8O4/c34-33(35)47-28-17-24-5-2-1-4-23(24)16-25(28)30-27(38-32(45)26-18-37-43-9-3-8-36-31(26)43)20-42(39-30)21-29(44)41-10-6-22(7-11-41)19-40-12-14-46-15-13-40/h1-5,8-9,16-18,20,22,33H,6-7,10-15,19,21H2,(H,38,45)
• InChIKey: ZSWKBZQKZKHRLB-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 119.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	644.68
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135191775) is N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(CC(=O)N2CCC(CN3CCOCC3)CC2)nc1-c1cc2ccccc2cc1OC(F)F)c1cnn2cccnc12.

What is the InChIKey of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZSWKBZQKZKHRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F2N8O4/c34-33(35)47-28-17-24-5-2-1-4-23(24)16-25(28)30-27(38-32(45)26-18-37-43-9-3-8-36-31(26)43)20-42(39-30)21-29(44)41-10-6-22(7-11-41)19-40-12-14-46-15-13-40/h1-5,8-9,16-18,20,22,33H,6-7,10-15,19,21H2,(H,38,45).

What are the key properties of N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 644.68 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135191775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).