N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide

C21H25N5O2 — CID 121339162

IUPACN-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide
SMILESCc1cccn2c(C(C)(C)NC(=O)c3nccc4c3OCCNC4)nc(C)c12
InChIInChI=1S/C21H25N5O2/c1-13-6-5-10-26-17(13)14(2)24-20(26)21(3,4)25-19(27)16-18-15(7-8-23-16)12-22-9-11-28-18/h5-8,10,22H,9,11-12H2,1-4H3,(H,25,27)
InChIKeyCLXRLZYIJPYVMB-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.49
Rot. Bonds3

About N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide

N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide (PubChem CID 121339162) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide
PubChem CID121339162
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide
SMILESCc1cccn2c(C(C)(C)NC(=O)c3nccc4c3OCCNC4)nc(C)c12
InChIInChI=1S/C21H25N5O2/c1-13-6-5-10-26-17(13)14(2)24-20(26)21(3,4)25-19(27)16-18-15(7-8-23-16)12-22-9-11-28-18/h5-8,10,22H,9,11-12H2,1-4H3,(H,25,27)
InChIKeyCLXRLZYIJPYVMB-UHFFFAOYSA-N
XLogP2.49
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,4S,6R)-4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]-(6-methyl-3-propoxy-2-pyridinyl)methanone
CID 46218796
(3-ethoxy-6-methyl-2-pyridinyl)-[(1R,4S,6R)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 46218917
[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(1R,4S,6R)-4-[[(5-methyl-2-pyridinyl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
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[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
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US10988459, Example 37
CID 124183454
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[4-(3-ethoxy-2-pyridyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
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N-ethyl-5-[2-methyl-8-[(4-phenylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
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N-ethyl-5-[2-methyl-8-[(4-methylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
The IUPAC name of N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide (CID 121339162) is N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide.
What is the SMILES notation for N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
The canonical SMILES for N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide is Cc1cccn2c(C(C)(C)NC(=O)c3nccc4c3OCCNC4)nc(C)c12.
What is the InChIKey of N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
The InChIKey is CLXRLZYIJPYVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13-6-5-10-26-17(13)14(2)24-20(26)21(3,4)25-19(27)16-18-15(7-8-23-16)12-22-9-11-28-18/h5-8,10,22H,9,11-12H2,1-4H3,(H,25,27).
What are the key properties of N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide is sourced from PubChem (CID 121339162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).