N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide

C18H22N4O2 — CID 169420600

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cccc(-c2cnn3ccn(C)c23)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)16(11-23)20-17(24)14-6-4-5-13(9-14)15-10-19-22-8-7-21(3)18(15)22/h4-10,12,16,23H,11H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeyWIVMMUKVADKKMF-MRXNPFEDSA-N
MW326.40 g/mol
LogP2.09
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide (PubChem CID 169420600) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide
PubChem CID169420600
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cccc(-c2cnn3ccn(C)c23)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)16(11-23)20-17(24)14-6-4-5-13(9-14)15-10-19-22-8-7-21(3)18(15)22/h4-10,12,16,23H,11H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeyWIVMMUKVADKKMF-MRXNPFEDSA-N
XLogP2.09
TPSA71.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide (CID 169420600) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide is CC(C)[C@@H](CO)NC(=O)c1cccc(-c2cnn3ccn(C)c23)c1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide?
The InChIKey is WIVMMUKVADKKMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)16(11-23)20-17(24)14-6-4-5-13(9-14)15-10-19-22-8-7-21(3)18(15)22/h4-10,12,16,23H,11H2,1-3H3,(H,20,24)/t16-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide is sourced from PubChem (CID 169420600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).