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

C20H23N5O2 — CID 121339261

IUPACN-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)c2ccnc3c2OCCNC3)c2ccccc21
InChIInChI=1S/C20H23N5O2/c1-20(2,18-13-6-4-5-7-16(13)25(3)24-18)23-19(26)14-8-9-22-15-12-21-10-11-27-17(14)15/h4-9,21H,10-12H2,1-3H3,(H,23,26)
InChIKeyBESJHHWUGXQXGG-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.12
Rot. Bonds3

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

N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide (PubChem CID 121339261) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide
PubChem CID121339261
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)c2ccnc3c2OCCNC3)c2ccccc21
InChIInChI=1S/C20H23N5O2/c1-20(2,18-13-6-4-5-7-16(13)25(3)24-18)23-19(26)14-8-9-22-15-12-21-10-11-27-17(14)15/h4-9,21H,10-12H2,1-3H3,(H,23,26)
InChIKeyBESJHHWUGXQXGG-UHFFFAOYSA-N
XLogP2.12
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
CID 139209093
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1H-indazole-6-carboxamide
CID 124155921
(3S)-5-methyl-3-[7-oxo-2-(pyridin-3-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135309069
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
US10183940, Example 22
CID 121339503
US11072607, Example #2
CID 134607424
2-Methoxy-5-[(1-methylindazol-4-yl)methoxy]pyridine-4-carbaldehyde
CID 71621900
US10183940, Example 42
CID 121339145
US10183940, Example 41
CID 121339157
US10183940, Example 40
CID 121339169

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylindazol-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-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide (CID 121339261) is N-[2-(1-methylindazol-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-methylindazol-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-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide is Cn1nc(C(C)(C)NC(=O)c2ccnc3c2OCCNC3)c2ccccc21.
What is the InChIKey of N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide?
The InChIKey is BESJHHWUGXQXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(2,18-13-6-4-5-7-16(13)25(3)24-18)23-19(26)14-8-9-22-15-12-21-10-11-27-17(14)15/h4-9,21H,10-12H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide?
N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide is sourced from PubChem (CID 121339261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).