N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide

C21H23Cl2N5O3 — CID 57494566

IUPACN-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1nc2n(CCN3CCCCC3)ccn2c(=O)c1O
InChIInChI=1S/C21H23Cl2N5O3/c22-15-5-4-14(12-16(15)23)13-24-19(30)17-18(29)20(31)28-11-10-27(21(28)25-17)9-8-26-6-2-1-3-7-26/h4-5,10-12,29H,1-3,6-9,13H2,(H,24,30)
InChIKeyCRTLYPDABFZDQH-UHFFFAOYSA-N
MW464.35 g/mol
LogP2.92
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide

N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide (PubChem CID 57494566) has the molecular formula C21H23Cl2N5O3 and a molecular weight of 464.35 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide
PubChem CID57494566
Molecular FormulaC21H23Cl2N5O3
Molecular Weight464.35 g/mol
Exact Mass463.12
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1nc2n(CCN3CCCCC3)ccn2c(=O)c1O
InChIInChI=1S/C21H23Cl2N5O3/c22-15-5-4-14(12-16(15)23)13-24-19(30)17-18(29)20(31)28-11-10-27(21(28)25-17)9-8-26-6-2-1-3-7-26/h4-5,10-12,29H,1-3,6-9,13H2,(H,24,30)
InChIKeyCRTLYPDABFZDQH-UHFFFAOYSA-N
XLogP2.92
TPSA91.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide (CID 57494566) is N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1nc2n(CCN3CCCCC3)ccn2c(=O)c1O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is CRTLYPDABFZDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O3/c22-15-5-4-14(12-16(15)23)13-24-19(30)17-18(29)20(31)28-11-10-27(21(28)25-17)9-8-26-6-2-1-3-7-26/h4-5,10-12,29H,1-3,6-9,13H2,(H,24,30).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 464.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 57494566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).