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

C20H23N5O3 — CID 121339160

IUPACN-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide
SMILESCOc1cccn2c(C(C)(C)NC(=O)c3nccc4c3OCCNC4)ncc12
InChIInChI=1S/C20H23N5O3/c1-20(2,19-23-12-14-15(27-3)5-4-9-25(14)19)24-18(26)16-17-13(6-7-22-16)11-21-8-10-28-17/h4-7,9,12,21H,8,10-11H2,1-3H3,(H,24,26)
InChIKeyWHZJCFWECCRQPY-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.88
Rot. Bonds4

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

N-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide (PubChem CID 121339160) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[2-(8-methoxyimidazo[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-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide
PubChem CID121339160
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide
SMILESCOc1cccn2c(C(C)(C)NC(=O)c3nccc4c3OCCNC4)ncc12
InChIInChI=1S/C20H23N5O3/c1-20(2,19-23-12-14-15(27-3)5-4-9-25(14)19)24-18(26)16-17-13(6-7-22-16)11-21-8-10-28-17/h4-7,9,12,21H,8,10-11H2,1-3H3,(H,24,26)
InChIKeyWHZJCFWECCRQPY-UHFFFAOYSA-N
XLogP1.88
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methoxyimidazo[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-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide (CID 121339160) is N-[2-(8-methoxyimidazo[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-(8-methoxyimidazo[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-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide is COc1cccn2c(C(C)(C)NC(=O)c3nccc4c3OCCNC4)ncc12.
What is the InChIKey of N-[2-(8-methoxyimidazo[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 WHZJCFWECCRQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-20(2,19-23-12-14-15(27-3)5-4-9-25(14)19)24-18(26)16-17-13(6-7-22-16)11-21-8-10-28-17/h4-7,9,12,21H,8,10-11H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
N-[2-(8-methoxyimidazo[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 381.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methoxyimidazo[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 121339160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).