N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C25H24Cl2N4O4 — CID 155285509

IUPACN-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ccc(-n2c(C(=O)NCC3CC3)c3n(c2=O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1
InChIInChI=1S/C25H24Cl2N4O4/c1-35-18-7-5-17(6-8-18)31-22(23(32)28-13-15-2-3-15)21-14-29(10-11-30(21)25(31)34)24(33)16-4-9-19(26)20(27)12-16/h4-9,12,15H,2-3,10-11,13-14H2,1H3,(H,28,32)
InChIKeyHDMFQCJNYXKXOK-UHFFFAOYSA-N
MW515.40 g/mol
LogP3.75
Rot. Bonds6

About N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155285509) has the molecular formula C25H24Cl2N4O4 and a molecular weight of 515.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID155285509
Molecular FormulaC25H24Cl2N4O4
Molecular Weight515.40 g/mol
Exact Mass514.12
IUPAC NameN-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ccc(-n2c(C(=O)NCC3CC3)c3n(c2=O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1
InChIInChI=1S/C25H24Cl2N4O4/c1-35-18-7-5-17(6-8-18)31-22(23(32)28-13-15-2-3-15)21-14-29(10-11-30(21)25(31)34)24(33)16-4-9-19(26)20(27)12-16/h4-9,12,15H,2-3,10-11,13-14H2,1H3,(H,28,32)
InChIKeyHDMFQCJNYXKXOK-UHFFFAOYSA-N
XLogP3.75
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155285509) is N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is COc1ccc(-n2c(C(=O)NCC3CC3)c3n(c2=O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is HDMFQCJNYXKXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O4/c1-35-18-7-5-17(6-8-18)31-22(23(32)28-13-15-2-3-15)21-14-29(10-11-30(21)25(31)34)24(33)16-4-9-19(26)20(27)12-16/h4-9,12,15H,2-3,10-11,13-14H2,1H3,(H,28,32).
What are the key properties of N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 515.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7-(3,4-dichlorobenzoyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155285509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).