3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C27H28ClN7O2 — CID 58628755

IUPAC3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1cc(N2CCOCC2)n2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C27H28ClN7O2/c28-20-5-3-4-19(16-20)21-18-30-35-25(34-12-14-37-15-13-34)17-23(31-26(21)35)27(36)32-22-6-1-2-7-24(22)33-10-8-29-9-11-33/h1-7,16-18,29H,8-15H2,(H,32,36)
InChIKeyYWXZSGKKNMIBMX-UHFFFAOYSA-N
MW518.02 g/mol
LogP3.55
Rot. Bonds5

About 3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628755) has the molecular formula C27H28ClN7O2 and a molecular weight of 518.02 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628755
Molecular FormulaC27H28ClN7O2
Molecular Weight518.02 g/mol
Exact Mass517.20
IUPAC Name3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1cc(N2CCOCC2)n2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C27H28ClN7O2/c28-20-5-3-4-19(16-20)21-18-30-35-25(34-12-14-37-15-13-34)17-23(31-26(21)35)27(36)32-22-6-1-2-7-24(22)33-10-8-29-9-11-33/h1-7,16-18,29H,8-15H2,(H,32,36)
InChIKeyYWXZSGKKNMIBMX-UHFFFAOYSA-N
XLogP3.55
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.02
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-chlorophenyl)-7-(4-fluoroanilino)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628629
3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628583
3-(3-chlorophenyl)-N-[5-(methanesulfonamido)-2-piperazin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628437
N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628849
3-(3-chlorophenyl)-N-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628701
3-[4-[2-(4-fluorophenyl)ethyl]phenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628524
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406
3-(3-chlorophenyl)-N-[2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628579
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261816
tert-butyl N-[1-[2-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate
CID 76842889
3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride
CID 162329103
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628755) is 3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1cc(N2CCOCC2)n2ncc(-c3cccc(Cl)c3)c2n1.
What is the InChIKey of 3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is YWXZSGKKNMIBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN7O2/c28-20-5-3-4-19(16-20)21-18-30-35-25(34-12-14-37-15-13-34)17-23(31-26(21)35)27(36)32-22-6-1-2-7-24(22)33-10-8-29-9-11-33/h1-7,16-18,29H,8-15H2,(H,32,36).
What are the key properties of 3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 518.02 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-7-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).