N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H27N5O4 — CID 91425689

IUPACN-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cnn4cccnc34)cc2)cc1OC
InChIInChI=1S/C26H27N5O4/c1-26(2,16-28-25(33)20-15-29-31-13-5-12-27-23(20)31)18-7-9-19(10-8-18)30-24(32)17-6-11-21(34-3)22(14-17)35-4/h5-15H,16H2,1-4H3,(H,28,33)(H,30,32)
InChIKeyFCHYQKMXNUZUOG-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.71
Rot. Bonds8

About N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 91425689) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID91425689
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC NameN-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cnn4cccnc34)cc2)cc1OC
InChIInChI=1S/C26H27N5O4/c1-26(2,16-28-25(33)20-15-29-31-13-5-12-27-23(20)31)18-7-9-19(10-8-18)30-24(32)17-6-11-21(34-3)22(14-17)35-4/h5-15H,16H2,1-4H3,(H,28,33)(H,30,32)
InChIKeyFCHYQKMXNUZUOG-UHFFFAOYSA-N
XLogP3.71
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
CID 175265795
N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide
CID 67546780
3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide
CID 90873510
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid
CID 69045462
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide
CID 67545094
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate
CID 5112652
N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664775
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414447

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 91425689) is N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cnn4cccnc34)cc2)cc1OC.
What is the InChIKey of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FCHYQKMXNUZUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-26(2,16-28-25(33)20-15-29-31-13-5-12-27-23(20)31)18-7-9-19(10-8-18)30-24(32)17-6-11-21(34-3)22(14-17)35-4/h5-15H,16H2,1-4H3,(H,28,33)(H,30,32).
What are the key properties of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91425689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).