N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide

C27H33N5O3 — CID 162647700

IUPACN-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide
SMILESCOc1ccc([C@H]2C[C@@H]2NCc2cn3c(n2)CN(CCCc2ccc(C(=O)NO)cc2)CC3)cc1
InChIInChI=1S/C27H33N5O3/c1-35-23-10-8-20(9-11-23)24-15-25(24)28-16-22-17-32-14-13-31(18-26(32)29-22)12-2-3-19-4-6-21(7-5-19)27(33)30-34/h4-11,17,24-25,28,34H,2-3,12-16,18H2,1H3,(H,30,33)/t24-,25+/m1/s1
InChIKeyMADLLDQAZUTCQB-RPBOFIJWSA-N
MW475.59 g/mol
LogP3.10
Rot. Bonds10

About N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide

N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide (PubChem CID 162647700) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide
PubChem CID162647700
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC NameN-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide
SMILESCOc1ccc([C@H]2C[C@@H]2NCc2cn3c(n2)CN(CCCc2ccc(C(=O)NO)cc2)CC3)cc1
InChIInChI=1S/C27H33N5O3/c1-35-23-10-8-20(9-11-23)24-15-25(24)28-16-22-17-32-14-13-31(18-26(32)29-22)12-2-3-19-4-6-21(7-5-19)27(33)30-34/h4-11,17,24-25,28,34H,2-3,12-16,18H2,1H3,(H,30,33)/t24-,25+/m1/s1
InChIKeyMADLLDQAZUTCQB-RPBOFIJWSA-N
XLogP3.10
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[2-[2-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyrimidin-5-yl]acetamide
CID 153322710
N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
CID 162640822
N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
CID 175752265
N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 97382121
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 110356585
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358322
N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 87400677
5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline
CID 110456774
N-(2-amino-5-fluorophenyl)-4-[3-[4-[[[2-(4-fluorophenyl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
CID 175752358
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide?
The IUPAC name of N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide (CID 162647700) is N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide?
The canonical SMILES for N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide is COc1ccc([C@H]2C[C@@H]2NCc2cn3c(n2)CN(CCCc2ccc(C(=O)NO)cc2)CC3)cc1.
What is the InChIKey of N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide?
The InChIKey is MADLLDQAZUTCQB-RPBOFIJWSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-35-23-10-8-20(9-11-23)24-15-25(24)28-16-22-17-32-14-13-31(18-26(32)29-22)12-2-3-19-4-6-21(7-5-19)27(33)30-34/h4-11,17,24-25,28,34H,2-3,12-16,18H2,1H3,(H,30,33)/t24-,25+/m1/s1.
What are the key properties of N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide?
N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide has a molecular weight of 475.59 g/mol, XLogP of 3.10, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-[2-[[[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propyl]benzamide is sourced from PubChem (CID 162647700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).