3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C23H23N7O — CID 58628472

IUPAC3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESNc1cccc(-c2cnn3ccc(C(=O)Nc4ccc(N5CCNCC5)cc4)nc23)c1
InChIInChI=1S/C23H23N7O/c24-17-3-1-2-16(14-17)20-15-26-30-11-8-21(28-22(20)30)23(31)27-18-4-6-19(7-5-18)29-12-9-25-10-13-29/h1-8,11,14-15,25H,9-10,12-13,24H2,(H,27,31)
InChIKeyHSTARAPIMKSMKI-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.64
Rot. Bonds4

About 3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628472) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628472
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESNc1cccc(-c2cnn3ccc(C(=O)Nc4ccc(N5CCNCC5)cc4)nc23)c1
InChIInChI=1S/C23H23N7O/c24-17-3-1-2-16(14-17)20-15-26-30-11-8-21(28-22(20)30)23(31)27-18-4-6-19(7-5-18)29-12-9-25-10-13-29/h1-8,11,14-15,25H,9-10,12-13,24H2,(H,27,31)
InChIKeyHSTARAPIMKSMKI-UHFFFAOYSA-N
XLogP2.64
TPSA100.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628646
3-(3,5-dichlorophenyl)-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628739
3-[4-(benzylamino)phenyl]-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628881
3-[4-(benzylamino)phenyl]-N-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628526
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-[4-[2-(4-fluorophenyl)ethyl]phenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628524
3-(3-chlorophenyl)-N-[3-[4-(2-phenylethyl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628721
3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628643
3-(3-chlorophenyl)-N-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628383
3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride
CID 162329103

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628472) is 3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is Nc1cccc(-c2cnn3ccc(C(=O)Nc4ccc(N5CCNCC5)cc4)nc23)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is HSTARAPIMKSMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c24-17-3-1-2-16(14-17)20-15-26-30-11-8-21(28-22(20)30)23(31)27-18-4-6-19(7-5-18)29-12-9-25-10-13-29/h1-8,11,14-15,25H,9-10,12-13,24H2,(H,27,31).
What are the key properties of 3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).