N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C17H18N4O2 — CID 71789506

IUPACN-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1cc2cc(CNC(=O)c3cnn4c3OCCC4)ccc2[nH]1
InChIInChI=1S/C17H18N4O2/c1-11-7-13-8-12(3-4-15(13)20-11)9-18-16(22)14-10-19-21-5-2-6-23-17(14)21/h3-4,7-8,10,20H,2,5-6,9H2,1H3,(H,18,22)
InChIKeyPRKUNZLONJIUJU-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.39
Rot. Bonds3

About N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 71789506) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID71789506
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1cc2cc(CNC(=O)c3cnn4c3OCCC4)ccc2[nH]1
InChIInChI=1S/C17H18N4O2/c1-11-7-13-8-12(3-4-15(13)20-11)9-18-16(22)14-10-19-21-5-2-6-23-17(14)21/h3-4,7-8,10,20H,2,5-6,9H2,1H3,(H,18,22)
InChIKeyPRKUNZLONJIUJU-UHFFFAOYSA-N
XLogP2.39
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide with MolForge

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Related Compounds

US10183940, Example 42
CID 121339145
US10183940, Example 21
CID 121339504
5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid
CID 137797013
5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 146675155
5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 146675157
N-(2-(1H-indol-3-yl)ethyl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 16925355
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
N-(2-((1H-indol-3-yl)thio)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789505
3-methoxy-1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71790739
N-{2-[5-cyclopropyl-3-(pyridin-2-yl)-1H-pyrazol-1-yl]ethyl}-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 72718732

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 71789506) is N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is Cc1cc2cc(CNC(=O)c3cnn4c3OCCC4)ccc2[nH]1.
What is the InChIKey of N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is PRKUNZLONJIUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-7-13-8-12(3-4-15(13)20-11)9-18-16(22)14-10-19-21-5-2-6-23-17(14)21/h3-4,7-8,10,20H,2,5-6,9H2,1H3,(H,18,22).
What are the key properties of N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 71789506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).