N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C30H28F2N8O4 — CID 135378874

IUPACN-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3ccc4c(c3)CNCC4)ccc2OC(F)F)n1
InChIInChI=1S/C30H28F2N8O4/c1-38(2)26(41)17-39-16-24(36-29(42)23-15-35-40-11-3-9-34-28(23)40)27(37-39)22-13-21(6-7-25(22)44-30(31)32)43-20-5-4-18-8-10-33-14-19(18)12-20/h3-7,9,11-13,15-16,30,33H,8,10,14,17H2,1-2H3,(H,36,42)
InChIKeyUYSKSYZGTMLVTQ-UHFFFAOYSA-N
MW602.60 g/mol
LogP3.97
Rot. Bonds9

About N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135378874) has the molecular formula C30H28F2N8O4 and a molecular weight of 602.60 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135378874
Molecular FormulaC30H28F2N8O4
Molecular Weight602.60 g/mol
Exact Mass602.22
IUPAC NameN-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3ccc4c(c3)CNCC4)ccc2OC(F)F)n1
InChIInChI=1S/C30H28F2N8O4/c1-38(2)26(41)17-39-16-24(36-29(42)23-15-35-40-11-3-9-34-28(23)40)27(37-39)22-13-21(6-7-25(22)44-30(31)32)43-20-5-4-18-8-10-33-14-19(18)12-20/h3-7,9,11-13,15-16,30,33H,8,10,14,17H2,1-2H3,(H,36,42)
InChIKeyUYSKSYZGTMLVTQ-UHFFFAOYSA-N
XLogP3.97
TPSA127.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.60
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135378874) is N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Oc3ccc4c(c3)CNCC4)ccc2OC(F)F)n1.
What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UYSKSYZGTMLVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N8O4/c1-38(2)26(41)17-39-16-24(36-29(42)23-15-35-40-11-3-9-34-28(23)40)27(37-39)22-13-21(6-7-25(22)44-30(31)32)43-20-5-4-18-8-10-33-14-19(18)12-20/h3-7,9,11-13,15-16,30,33H,8,10,14,17H2,1-2H3,(H,36,42).
What are the key properties of N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 602.60 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(difluoromethoxy)-5-(1,2,3,4-tetrahydroisoquinolin-7-yloxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135378874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).