N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide

C17H24N4O2 — CID 121346627

IUPACN-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
SMILESCc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)[nH]nc12
InChIInChI=1S/C17H24N4O2/c1-11-5-4-6-13-14(11)20-21-15(13)17(2,3)19-16(22)12-9-18-7-8-23-10-12/h4-6,12,18H,7-10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyDWRHBTILHCCCTA-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.46
Rot. Bonds3

About N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide

N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide (PubChem CID 121346627) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
PubChem CID121346627
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
SMILESCc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)[nH]nc12
InChIInChI=1S/C17H24N4O2/c1-11-5-4-6-13-14(11)20-21-15(13)17(2,3)19-16(22)12-9-18-7-8-23-10-12/h4-6,12,18H,7-10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyDWRHBTILHCCCTA-UHFFFAOYSA-N
XLogP1.46
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
CID 121339156
N-[2-(5-chloro-3H-indol-2-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
CID 161223080
N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine
CID 145079734
N-[2-(7-chloro-2H-indazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
CID 121339635
N-methyl-1,4-oxazepane-6-carboxamide
CID 66510045
N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide
CID 121346738
(7-methyl-2H-indazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 146102333
(2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide
CID 121346616
N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide
CID 162176252
4-methyl-2H-benzotriazole;morpholine
CID 159945175
tert-butyl 6-[2-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamoyl]-1,4-oxazepane-4-carboxylate
CID 121346698
N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide;molecular hydrogen;morpholine
CID 176691152

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
The IUPAC name of N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide (CID 121346627) is N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide.
What is the SMILES notation for N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
The canonical SMILES for N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide is Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)[nH]nc12.
What is the InChIKey of N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
The InChIKey is DWRHBTILHCCCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-5-4-6-13-14(11)20-21-15(13)17(2,3)19-16(22)12-9-18-7-8-23-10-12/h4-6,12,18H,7-10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide is sourced from PubChem (CID 121346627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).