N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C32H33F2N9O5S — CID 135188087

IUPACN-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cc2cc(OC(F)F)c(-c3nn(CC(=O)N4CCC(CN5CCOCC5)CC4)cc3NC(=O)c3cnn4cccnc34)cc2s1
InChIInChI=1S/C32H33F2N9O5S/c33-32(34)48-24-12-20-13-26(29(35)45)49-25(20)14-21(24)28-23(38-31(46)22-15-37-43-5-1-4-36-30(22)43)17-42(39-28)18-27(44)41-6-2-19(3-7-41)16-40-8-10-47-11-9-40/h1,4-5,12-15,17,19,32H,2-3,6-11,16,18H2,(H2,35,45)(H,38,46)
InChIKeyQTDDJWAISXEMHJ-UHFFFAOYSA-N
MW693.74 g/mol
LogP3.33
Rot. Bonds10

About N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135188087) has the molecular formula C32H33F2N9O5S and a molecular weight of 693.74 g/mol. Its IUPAC name is N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-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 NameN-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135188087
Molecular FormulaC32H33F2N9O5S
Molecular Weight693.74 g/mol
Exact Mass693.23
IUPAC NameN-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cc2cc(OC(F)F)c(-c3nn(CC(=O)N4CCC(CN5CCOCC5)CC4)cc3NC(=O)c3cnn4cccnc34)cc2s1
InChIInChI=1S/C32H33F2N9O5S/c33-32(34)48-24-12-20-13-26(29(35)45)49-25(20)14-21(24)28-23(38-31(46)22-15-37-43-5-1-4-36-30(22)43)17-42(39-28)18-27(44)41-6-2-19(3-7-41)16-40-8-10-47-11-9-40/h1,4-5,12-15,17,19,32H,2-3,6-11,16,18H2,(H2,35,45)(H,38,46)
InChIKeyQTDDJWAISXEMHJ-UHFFFAOYSA-N
XLogP3.33
TPSA162.21 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.74
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-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-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135188087) is N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-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-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-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-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cc2cc(OC(F)F)c(-c3nn(CC(=O)N4CCC(CN5CCOCC5)CC4)cc3NC(=O)c3cnn4cccnc34)cc2s1.
What is the InChIKey of N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-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 QTDDJWAISXEMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N9O5S/c33-32(34)48-24-12-20-13-26(29(35)45)49-25(20)14-21(24)28-23(38-31(46)22-15-37-43-5-1-4-36-30(22)43)17-42(39-28)18-27(44)41-6-2-19(3-7-41)16-40-8-10-47-11-9-40/h1,4-5,12-15,17,19,32H,2-3,6-11,16,18H2,(H2,35,45)(H,38,46).
What are the key properties of N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-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 693.74 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-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 135188087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).