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

C20H23N5O2 — CID 121339504

IUPACN-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)c2cncc3c2OCCNC3)c2ccccc21
InChIInChI=1S/C20H23N5O2/c1-20(2,18-14-6-4-5-7-16(14)25(3)24-18)23-19(26)15-12-22-11-13-10-21-8-9-27-17(13)15/h4-7,11-12,21H,8-10H2,1-3H3,(H,23,26)
InChIKeyKBOOENBEYXHDRQ-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[3,4-f][1,4]oxazepine-9-carboxamide

N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide (PubChem CID 121339504) 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[3,4-f][1,4]oxazepine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide
PubChem CID121339504
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[3,4-f][1,4]oxazepine-9-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)c2cncc3c2OCCNC3)c2ccccc21
InChIInChI=1S/C20H23N5O2/c1-20(2,18-14-6-4-5-7-16(14)25(3)24-18)23-19(26)15-12-22-11-13-10-21-8-9-27-17(13)15/h4-7,11-12,21H,8-10H2,1-3H3,(H,23,26)
InChIKeyKBOOENBEYXHDRQ-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

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Related Compounds

3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl(1H-indazol-3-yl)methanone
CID 171553643
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(5-fluoro-1H-indazol-3-yl)methanone
CID 171553690
US10183940, Example 42
CID 121339145
US10183940, Example 41
CID 121339157
US10183940, Example 31
CID 121339166
US10183940, Example 19
CID 121339259
US10183940, Example 20
CID 121339261
US10183940, Example 24
CID 121339501
N-((2-methyl-1H-indol-5-yl)methyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789506
N-(2-(1H-indol-3-yl)ethyl)-3-ethoxy-1-ethyl-1H-pyrazole-4-carboxamide
CID 16925475
N-(4-{[2-(1H-indol-3-yl)ethyl]carbamoyl}phenyl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 71780988
N-(2-(2-methyl-1H-indol-1-yl)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789498

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide?
The IUPAC name of N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide (CID 121339504) is N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-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[3,4-f][1,4]oxazepine-9-carboxamide?
The canonical SMILES for N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide is Cn1nc(C(C)(C)NC(=O)c2cncc3c2OCCNC3)c2ccccc21.
What is the InChIKey of N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide?
The InChIKey is KBOOENBEYXHDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(2,18-14-6-4-5-7-16(14)25(3)24-18)23-19(26)15-12-22-11-13-10-21-8-9-27-17(13)15/h4-7,11-12,21H,8-10H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide?
N-[2-(1-methylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-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[3,4-f][1,4]oxazepine-9-carboxamide is sourced from PubChem (CID 121339504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).