N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride

C28H32ClN5O3 — CID 44522292

IUPACN,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)c2cn3nc(-c4ccc(OCC)cc4)cc3nc2C2CCNCC2)cc1.Cl
InChIInChI=1S/C28H31N5O3.ClH/c1-3-35-22-9-5-19(6-10-22)25-17-26-31-27(20-13-15-29-16-14-20)24(18-33(26)32-25)28(34)30-21-7-11-23(12-8-21)36-4-2;/h5-12,17-18,20,29H,3-4,13-16H2,1-2H3,(H,30,34);1H
InChIKeyIIABEJFGTQTODI-UHFFFAOYSA-N
MW522.05 g/mol
LogP5.33
Rot. Bonds8

About N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride

N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride (PubChem CID 44522292) has the molecular formula C28H32ClN5O3 and a molecular weight of 522.05 g/mol. Its IUPAC name is N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
PubChem CID44522292
Molecular FormulaC28H32ClN5O3
Molecular Weight522.05 g/mol
Exact Mass521.22
IUPAC NameN,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)c2cn3nc(-c4ccc(OCC)cc4)cc3nc2C2CCNCC2)cc1.Cl
InChIInChI=1S/C28H31N5O3.ClH/c1-3-35-22-9-5-19(6-10-22)25-17-26-31-27(20-13-15-29-16-14-20)24(18-33(26)32-25)28(34)30-21-7-11-23(12-8-21)36-4-2;/h5-12,17-18,20,29H,3-4,13-16H2,1-2H3,(H,30,34);1H
InChIKeyIIABEJFGTQTODI-UHFFFAOYSA-N
XLogP5.33
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.05
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride?
The IUPAC name of N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride (CID 44522292) is N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride.
What is the SMILES notation for N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride?
The canonical SMILES for N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride is CCOc1ccc(NC(=O)c2cn3nc(-c4ccc(OCC)cc4)cc3nc2C2CCNCC2)cc1.Cl.
What is the InChIKey of N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride?
The InChIKey is IIABEJFGTQTODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3.ClH/c1-3-35-22-9-5-19(6-10-22)25-17-26-31-27(20-13-15-29-16-14-20)24(18-33(26)32-25)28(34)30-21-7-11-23(12-8-21)36-4-2;/h5-12,17-18,20,29H,3-4,13-16H2,1-2H3,(H,30,34);1H.
What are the key properties of N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride?
N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride has a molecular weight of 522.05 g/mol, XLogP of 5.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride is sourced from PubChem (CID 44522292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).