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

C31H31F2N9O5S — CID 135186628

IUPACN-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-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(N5CCOCC5)CC4)cc3NC(=O)c3cnn4cccnc34)cc2s1
InChIInChI=1S/C31H31F2N9O5S/c32-31(33)47-23-12-18-13-25(28(34)44)48-24(18)14-20(23)27-22(37-30(45)21-15-36-42-5-1-4-35-29(21)42)16-41(38-27)17-26(43)40-6-2-19(3-7-40)39-8-10-46-11-9-39/h1,4-5,12-16,19,31H,2-3,6-11,17H2,(H2,34,44)(H,37,45)
InChIKeyWVXXIKSXDKAORG-UHFFFAOYSA-N
MW679.71 g/mol
LogP3.08
Rot. Bonds9

About N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-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-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135186628) has the molecular formula C31H31F2N9O5S and a molecular weight of 679.71 g/mol. Its IUPAC name is N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-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-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135186628
Molecular FormulaC31H31F2N9O5S
Molecular Weight679.71 g/mol
Exact Mass679.21
IUPAC NameN-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-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(N5CCOCC5)CC4)cc3NC(=O)c3cnn4cccnc34)cc2s1
InChIInChI=1S/C31H31F2N9O5S/c32-31(33)47-23-12-18-13-25(28(34)44)48-24(18)14-20(23)27-22(37-30(45)21-15-36-42-5-1-4-35-29(21)42)16-41(38-27)17-26(43)40-6-2-19(3-7-40)39-8-10-46-11-9-39/h1,4-5,12-16,19,31H,2-3,6-11,17H2,(H2,34,44)(H,37,45)
InChIKeyWVXXIKSXDKAORG-UHFFFAOYSA-N
XLogP3.08
TPSA162.21 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.71
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-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

Related Compounds

US11155557, Example 64
CID 135186606
US11155557, Example 66
CID 135186614
US11155557, Example 61
CID 135188087
US11155557, Example 65
CID 135197204
US11155557, Example 152
CID 135200158
US11155557, Example 19
CID 135200161
US11155557, Example 7
CID 135200191
US11155557, Example 8
CID 135200211
US11155557, Example 25
CID 135200230
US11155557, Example 58
CID 146236144
US11155557, Example 55
CID 146236162
US11155557, Example 129
CID 146236188

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-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-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135186628) is N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-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-ylpiperidin-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-ylpiperidin-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(N5CCOCC5)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-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WVXXIKSXDKAORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2N9O5S/c32-31(33)47-23-12-18-13-25(28(34)44)48-24(18)14-20(23)27-22(37-30(45)21-15-36-42-5-1-4-35-29(21)42)16-41(38-27)17-26(43)40-6-2-19(3-7-40)39-8-10-46-11-9-39/h1,4-5,12-16,19,31H,2-3,6-11,17H2,(H2,34,44)(H,37,45).
What are the key properties of N-[3-[2-carbamoyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-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-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 679.71 g/mol, XLogP of 3.08, 9 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-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135186628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).