N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

C21H24N4O2 — CID 121339501

IUPACN-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1cccc2c(C(C)(C)NC(=O)c3cccc4c3OCCNC4)cnn12
InChIInChI=1S/C21H24N4O2/c1-14-6-4-9-18-17(13-23-25(14)18)21(2,3)24-20(26)16-8-5-7-15-12-22-10-11-27-19(15)16/h4-9,13,22H,10-12H2,1-3H3,(H,24,26)
InChIKeyDRNAMGRLIVALJL-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.79
Rot. Bonds3

About N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (PubChem CID 121339501) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
PubChem CID121339501
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1cccc2c(C(C)(C)NC(=O)c3cccc4c3OCCNC4)cnn12
InChIInChI=1S/C21H24N4O2/c1-14-6-4-9-18-17(13-23-25(14)18)21(2,3)24-20(26)16-8-5-7-15-12-22-10-11-27-19(15)16/h4-9,13,22H,10-12H2,1-3H3,(H,24,26)
InChIKeyDRNAMGRLIVALJL-UHFFFAOYSA-N
XLogP2.79
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide with MolForge

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Related Compounds

5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
US10183940, Example 23
CID 121339506
7-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one
CID 46231532
N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047159
N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047563
4-[5-(1,5-Dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
CID 155514353
US10183940, Example 39
CID 121339159
US10183940, Example 25
CID 121339388
US10183940, Example 22
CID 121339503
US10183940, Example 27
CID 121339603

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methylpyrazolo[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-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (CID 121339501) is N-[2-(7-methylpyrazolo[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-(7-methylpyrazolo[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-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is Cc1cccc2c(C(C)(C)NC(=O)c3cccc4c3OCCNC4)cnn12.
What is the InChIKey of N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The InChIKey is DRNAMGRLIVALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-6-4-9-18-17(13-23-25(14)18)21(2,3)24-20(26)16-8-5-7-15-12-22-10-11-27-19(15)16/h4-9,13,22H,10-12H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is sourced from PubChem (CID 121339501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).