N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide

C21H25N5O2 — CID 121339157

IUPACN-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide
SMILESCc1cccc2c(C(C)(C)NC(=O)c3ccnc4c3OCCNC4)nn(C)c12
InChIInChI=1S/C21H25N5O2/c1-13-6-5-7-14-17(13)26(4)25-19(14)21(2,3)24-20(27)15-8-9-23-16-12-22-10-11-28-18(15)16/h5-9,22H,10-12H2,1-4H3,(H,24,27)
InChIKeySWXLAAZEAFVDNA-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.42
Rot. Bonds3

About N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide

N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide (PubChem CID 121339157) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide
PubChem CID121339157
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide
SMILESCc1cccc2c(C(C)(C)NC(=O)c3ccnc4c3OCCNC4)nn(C)c12
InChIInChI=1S/C21H25N5O2/c1-13-6-5-7-14-17(13)26(4)25-19(14)21(2,3)24-20(27)15-8-9-23-16-12-22-10-11-28-18(15)16/h5-9,22H,10-12H2,1-4H3,(H,24,27)
InChIKeySWXLAAZEAFVDNA-UHFFFAOYSA-N
XLogP2.42
TPSA81.07 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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-4-ylmethyl)-5-(5-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 146254727
US10183940, Example 23
CID 121339506
1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
CID 71724975
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
US10183940, Example 39
CID 121339159
US10183940, Example 25
CID 121339388
US10183940, Example 22
CID 121339503
US11072607, Example #2
CID 134607424
US10183940, Example 42
CID 121339145
US10183940, Example 71
CID 121339167
US10183940, Example 40
CID 121339169

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide?
The IUPAC name of N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide (CID 121339157) is N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide.
What is the SMILES notation for N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide?
The canonical SMILES for N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide is Cc1cccc2c(C(C)(C)NC(=O)c3ccnc4c3OCCNC4)nn(C)c12.
What is the InChIKey of N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide?
The InChIKey is SWXLAAZEAFVDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13-6-5-7-14-17(13)26(4)25-19(14)21(2,3)24-20(27)15-8-9-23-16-12-22-10-11-28-18(15)16/h5-9,22H,10-12H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide?
N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide is sourced from PubChem (CID 121339157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).