N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

C21H23FN4O2 — CID 121339609

IUPACN-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1cc(F)cn2c(C(C)(C)NC(=O)c3cccc4c3OCCNC4)ncc12
InChIInChI=1S/C21H23FN4O2/c1-13-9-15(22)12-26-17(13)11-24-20(26)21(2,3)25-19(27)16-6-4-5-14-10-23-7-8-28-18(14)16/h4-6,9,11-12,23H,7-8,10H2,1-3H3,(H,25,27)
InChIKeyZAUIMYTYVMCDHP-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.93
Rot. Bonds3

About N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (PubChem CID 121339609) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
PubChem CID121339609
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1cc(F)cn2c(C(C)(C)NC(=O)c3cccc4c3OCCNC4)ncc12
InChIInChI=1S/C21H23FN4O2/c1-13-9-15(22)12-26-17(13)11-24-20(26)21(2,3)25-19(27)16-6-4-5-14-10-23-7-8-28-18(14)16/h4-6,9,11-12,23H,7-8,10H2,1-3H3,(H,25,27)
InChIKeyZAUIMYTYVMCDHP-UHFFFAOYSA-N
XLogP2.93
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-3-(3-(2-(3-(2-(dimethylamino)ethoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
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2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
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N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 46240955
N-[3-(3-acetylphenyl)-6-[2-methoxy-phenyl)imidazo [1,2-a]pyridin-8-yl]acetamide
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US10988459, Example 37
CID 124183454
2-Ethoxy-N-({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)benzamide
CID 16031349
[2-[3-(2,4,4-Trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-(trifluoromethyl)benzoate
CID 45488249
3-[8-formamido-6-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide
CID 49786538
N-[2-ethyl-8-(3-methylbut-2-enoxy)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 49789736
N-[8-(cyclohexylmethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 49791079
3-[butyl(formyl)amino]-2-ethyl-N-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 49792635
2-[1-[2-(4-Cyclopropyloxy-3-fluorophenyl)acetyl]piperidin-4-yl]oxy-5-(1-methylimidazol-4-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The IUPAC name of N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (CID 121339609) is N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.
What is the SMILES notation for N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The canonical SMILES for N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is Cc1cc(F)cn2c(C(C)(C)NC(=O)c3cccc4c3OCCNC4)ncc12.
What is the InChIKey of N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The InChIKey is ZAUIMYTYVMCDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-13-9-15(22)12-26-17(13)11-24-20(26)21(2,3)25-19(27)16-6-4-5-14-10-23-7-8-28-18(14)16/h4-6,9,11-12,23H,7-8,10H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is sourced from PubChem (CID 121339609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).