4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide

C23H28N6O3 — CID 71288531

IUPAC4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
SMILESCOCCn1cc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C23H28N6O3/c1-27-21(18(15-25-27)23(31)28-11-6-12-28)22(30)24-10-9-20-26-19(16-29(20)13-14-32-2)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,24,30)
InChIKeyBDXJHBLQVRJWEJ-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.75
Rot. Bonds9

About 4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 71288531) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID71288531
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
SMILESCOCCn1cc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C23H28N6O3/c1-27-21(18(15-25-27)23(31)28-11-6-12-28)22(30)24-10-9-20-26-19(16-29(20)13-14-32-2)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,24,30)
InChIKeyBDXJHBLQVRJWEJ-UHFFFAOYSA-N
XLogP1.75
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide (CID 71288531) is 4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide is COCCn1cc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is BDXJHBLQVRJWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-27-21(18(15-25-27)23(31)28-11-6-12-28)22(30)24-10-9-20-26-19(16-29(20)13-14-32-2)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,24,30).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71288531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).